N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine

C82H127ClF5N15O3S — CID 167586915

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine
SMILESC.CC(C)(C)CCCc1nccn1C(F)F.CC(C)(C)N(CC(=O)Nc1ccccc1)Cc1ccco1.CC(C)(C)N(CCn1cccn1)Cc1csc(Cc2ccccc2)n1.CC(C)(C)N1CC(C(F)(F)F)CC(Cl)C1=O.CC(C)(C)NCCCCc1nnc2n1CCC2.CC(C)(C)NCCn1cccc1
InChIInChI=1S/C20H26N4S.C17H22N2O2.C13H24N4.C11H18F2N2.C10H15ClF3NO.C10H18N2.CH4/c1-20(2,3)23(12-13-24-11-7-10-21-24)15-18-16-25-19(22-18)14-17-8-5-4-6-9-17;1-17(2,3)19(12-15-10-7-11-21-15)13-16(20)18-14-8-5-4-6-9-14;1-13(2,3)14-9-5-4-7-11-15-16-12-8-6-10-17(11)12;1-11(2,3)6-4-5-9-14-7-8-15(9)10(12)13;1-9(2,3)15-5-6(10(12,13)14)4-7(11)8(15)16;1-10(2,3)11-6-9-12-7-4-5-8-12;/h4-11,16H,12-15H2,1-3H3;4-11H,12-13H2,1-3H3,(H,18,20);14H,4-10H2,1-3H3;7-8,10H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;4-5,7-8,11H,6,9H2,1-3H3;1H4
InChIKeyHXODKIGYRFLYSG-UHFFFAOYSA-N
MW1533.53 g/mol
LogP18.65
Rot. Bonds24

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine (PubChem CID 167586915) has the molecular formula C82H127ClF5N15O3S and a molecular weight of 1533.53 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine
PubChem CID167586915
Molecular FormulaC82H127ClF5N15O3S
Molecular Weight1533.53 g/mol
Exact Mass1531.96
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine
SMILESC.CC(C)(C)CCCc1nccn1C(F)F.CC(C)(C)N(CC(=O)Nc1ccccc1)Cc1ccco1.CC(C)(C)N(CCn1cccn1)Cc1csc(Cc2ccccc2)n1.CC(C)(C)N1CC(C(F)(F)F)CC(Cl)C1=O.CC(C)(C)NCCCCc1nnc2n1CCC2.CC(C)(C)NCCn1cccc1
InChIInChI=1S/C20H26N4S.C17H22N2O2.C13H24N4.C11H18F2N2.C10H15ClF3NO.C10H18N2.CH4/c1-20(2,3)23(12-13-24-11-7-10-21-24)15-18-16-25-19(22-18)14-17-8-5-4-6-9-17;1-17(2,3)19(12-15-10-7-11-21-15)13-16(20)18-14-8-5-4-6-9-14;1-13(2,3)14-9-5-4-7-11-15-16-12-8-6-10-17(11)12;1-11(2,3)6-4-5-9-14-7-8-15(9)10(12)13;1-9(2,3)15-5-6(10(12,13)14)4-7(11)8(15)16;1-10(2,3)11-6-9-12-7-4-5-8-12;/h4-11,16H,12-15H2,1-3H3;4-11H,12-13H2,1-3H3,(H,18,20);14H,4-10H2,1-3H3;7-8,10H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;4-5,7-8,11H,6,9H2,1-3H3;1H4
InChIKeyHXODKIGYRFLYSG-UHFFFAOYSA-N
XLogP18.65
TPSA177.26 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.53
LogP ≤ 518.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine
CID 158708288
N-[(3-chlorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(3,5-difluorophenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(3-imidazol-1-ylpropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 160011077
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine
CID 160475971
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)pyridin-2-one;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylpropan-2-amine;2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 161071086
N-benzyl-2,2-dimethylpropanamide;N,N-bis(2-methoxyethyl)-2,2-dimethylpropanamide;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylthiophene;N-(2-cyanoethyl)-N-cyclopropyl-2,2-dimethylpropanamide;N-(2-cyanoethyl)-2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N,N-bis(2-methylpropyl)propanamide;1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;4-(2,2-dimethylpropyl)morpholine;N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide;N-[2-[di(propan-2-yl)amino]ethyl]-2,2-dimethylpropanamide;N-(furan-2-ylmethyl)-N,2,2-trimethylpropanamide
CID 158684809

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine (CID 167586915) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine is C.CC(C)(C)CCCc1nccn1C(F)F.CC(C)(C)N(CC(=O)Nc1ccccc1)Cc1ccco1.CC(C)(C)N(CCn1cccn1)Cc1csc(Cc2ccccc2)n1.CC(C)(C)N1CC(C(F)(F)F)CC(Cl)C1=O.CC(C)(C)NCCCCc1nnc2n1CCC2.CC(C)(C)NCCn1cccc1.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine?
The InChIKey is HXODKIGYRFLYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S.C17H22N2O2.C13H24N4.C11H18F2N2.C10H15ClF3NO.C10H18N2.CH4/c1-20(2,3)23(12-13-24-11-7-10-21-24)15-18-16-25-19(22-18)14-17-8-5-4-6-9-17;1-17(2,3)19(12-15-10-7-11-21-15)13-16(20)18-14-8-5-4-6-9-14;1-13(2,3)14-9-5-4-7-11-15-16-12-8-6-10-17(11)12;1-11(2,3)6-4-5-9-14-7-8-15(9)10(12)13;1-9(2,3)15-5-6(10(12,13)14)4-7(11)8(15)16;1-10(2,3)11-6-9-12-7-4-5-8-12;/h4-11,16H,12-15H2,1-3H3;4-11H,12-13H2,1-3H3,(H,18,20);14H,4-10H2,1-3H3;7-8,10H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;4-5,7-8,11H,6,9H2,1-3H3;1H4.
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine has a molecular weight of 1533.53 g/mol, XLogP of 18.65, 24 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methyl-N-(2-pyrazol-1-ylethyl)propan-2-amine;1-tert-butyl-3-chloro-5-(trifluoromethyl)piperidin-2-one;N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)butan-1-amine;2-[tert-butyl(furan-2-ylmethyl)amino]-N-phenylacetamide;1-(difluoromethyl)-2-(4,4-dimethylpentyl)imidazole;methane;2-methyl-N-(2-pyrrol-1-ylethyl)propan-2-amine is sourced from PubChem (CID 167586915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).