N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine

C68H120F3N13O — CID 167688132

IUPACN-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
SMILESCC(C)NCCN1CCC(O)CC1.CC(C)NCCN1CCC1.CC(C)NCCN1CCCC1.CC(C)NCCn1ccc(C(C)(F)F)c1.CC(C)NCc1ccc(C#N)cc1.CC(C)NCc1ccc(F)cc1.CC(C)NCc1cccnc1
InChIInChI=1S/C11H18F2N2.C11H14N2.C10H14FN.C10H22N2O.C9H20N2.C9H14N2.C8H18N2/c1-9(2)14-5-7-15-6-4-10(8-15)11(3,12)13;1-9(2)13-8-11-5-3-10(7-12)4-6-11;1-8(2)12-7-9-3-5-10(11)6-4-9;1-9(2)11-5-8-12-6-3-10(13)4-7-12;1-9(2)10-5-8-11-6-3-4-7-11;1-8(2)11-7-9-4-3-5-10-6-9;1-8(2)9-4-7-10-5-3-6-10/h4,6,8-9,14H,5,7H2,1-3H3;3-6,9,13H,8H2,1-2H3;3-6,8,12H,7H2,1-2H3;9-11,13H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3-6,8,11H,7H2,1-2H3;8-9H,3-7H2,1-2H3
InChIKeyWNFYDKIDNVNBIL-UHFFFAOYSA-N
MW1192.79 g/mol
LogP10.77
Rot. Bonds26

About N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine

N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine (PubChem CID 167688132) has the molecular formula C68H120F3N13O and a molecular weight of 1192.79 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
PubChem CID167688132
Molecular FormulaC68H120F3N13O
Molecular Weight1192.79 g/mol
Exact Mass1191.97
IUPAC NameN-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
SMILESCC(C)NCCN1CCC(O)CC1.CC(C)NCCN1CCC1.CC(C)NCCN1CCCC1.CC(C)NCCn1ccc(C(C)(F)F)c1.CC(C)NCc1ccc(C#N)cc1.CC(C)NCc1ccc(F)cc1.CC(C)NCc1cccnc1
InChIInChI=1S/C11H18F2N2.C11H14N2.C10H14FN.C10H22N2O.C9H20N2.C9H14N2.C8H18N2/c1-9(2)14-5-7-15-6-4-10(8-15)11(3,12)13;1-9(2)13-8-11-5-3-10(7-12)4-6-11;1-8(2)12-7-9-3-5-10(11)6-4-9;1-9(2)11-5-8-12-6-3-10(13)4-7-12;1-9(2)10-5-8-11-6-3-4-7-11;1-8(2)11-7-9-4-3-5-10-6-9;1-8(2)9-4-7-10-5-3-6-10/h4,6,8-9,14H,5,7H2,1-3H3;3-6,9,13H,8H2,1-2H3;3-6,8,12H,7H2,1-2H3;9-11,13H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3-6,8,11H,7H2,1-2H3;8-9H,3-7H2,1-2H3
InChIKeyWNFYDKIDNVNBIL-UHFFFAOYSA-N
XLogP10.77
TPSA155.77 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001192.79
LogP ≤ 510.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine with MolForge

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Related Compounds

3-(1,1-difluoroethyl)-1-(2-propan-2-ylsulfanylethyl)pyrrole;2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine;methane;1-methyl-4-(propan-2-ylsulfanylmethyl)benzene;1-methyl-3-(propan-2-ylsulfanylmethyl)pyrrolidine;1-(2-propan-2-ylsulfanylethyl)azetidine;1-(2-propan-2-ylsulfanylethyl)pyrrolidine;4-(propan-2-ylsulfanylmethyl)benzonitrile;3-(propan-2-ylsulfanylmethyl)pyridine
CID 159944438
1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol
CID 111122901
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile
CID 60697219
N-(pyridin-3-ylmethyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 43426023
N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
CID 62559867
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 71977852
1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203398
1-[(4-chlorophenyl)methyl]-3-[2,2,2-trifluoro-1-(pyridin-3-ylmethylamino)ethyl]indole-6-carbonitrile
CID 25097279
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
The IUPAC name of N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine (CID 167688132) is N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine.
What is the SMILES notation for N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
The canonical SMILES for N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine is CC(C)NCCN1CCC(O)CC1.CC(C)NCCN1CCC1.CC(C)NCCN1CCCC1.CC(C)NCCn1ccc(C(C)(F)F)c1.CC(C)NCc1ccc(C#N)cc1.CC(C)NCc1ccc(F)cc1.CC(C)NCc1cccnc1.
What is the InChIKey of N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
The InChIKey is WNFYDKIDNVNBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2.C11H14N2.C10H14FN.C10H22N2O.C9H20N2.C9H14N2.C8H18N2/c1-9(2)14-5-7-15-6-4-10(8-15)11(3,12)13;1-9(2)13-8-11-5-3-10(7-12)4-6-11;1-8(2)12-7-9-3-5-10(11)6-4-9;1-9(2)11-5-8-12-6-3-10(13)4-7-12;1-9(2)10-5-8-11-6-3-4-7-11;1-8(2)11-7-9-4-3-5-10-6-9;1-8(2)9-4-7-10-5-3-6-10/h4,6,8-9,14H,5,7H2,1-3H3;3-6,9,13H,8H2,1-2H3;3-6,8,12H,7H2,1-2H3;9-11,13H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3-6,8,11H,7H2,1-2H3;8-9H,3-7H2,1-2H3.
What are the key properties of N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine?
N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine has a molecular weight of 1192.79 g/mol, XLogP of 10.77, 26 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)ethyl]propan-2-amine;N-[2-[3-(1,1-difluoroethyl)pyrrol-1-yl]ethyl]propan-2-amine;N-[(4-fluorophenyl)methyl]propan-2-amine;1-[2-(propan-2-ylamino)ethyl]piperidin-4-ol;4-[(propan-2-ylamino)methyl]benzonitrile;N-(pyridin-3-ylmethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine is sourced from PubChem (CID 167688132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).