N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine

C91H141N9O3 — CID 167692114

IUPACN-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine
SMILESCC(C)C1NCC2C1C2(C)C.CC(C)C1NCC2CCCC21.CC(C)CCc1ccccn1.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)NCc1ccccc1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.Cc1cnc(COC(C)C)cn1
InChIInChI=1S/C12H17N.C11H15N.2C10H19N.2C10H15N.C10H14O.C9H14N2O.C9H13NO/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-6(2)9-8-7(5-11-9)10(8,3)4;1-7(2)10-9-5-3-4-8(9)6-11-10;1-9(2)6-7-10-5-3-4-8-11-10;2*1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)12-6-9-5-10-8(3)4-11-9;1-8(2)11-7-9-5-3-4-6-10-9/h3-6,10H,7-9H2,1-2H3;3-6,9H,7-8H2,1-2H3;6-9,11H,5H2,1-4H3;7-11H,3-6H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;3-7,9,11H,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-5,7H,6H2,1-3H3;3-6,8H,7H2,1-2H3
InChIKeyXCHWVRWRLNZBRJ-UHFFFAOYSA-N
MW1409.19 g/mol
LogP19.96
Rot. Bonds19

About N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine

N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine (PubChem CID 167692114) has the molecular formula C91H141N9O3 and a molecular weight of 1409.19 g/mol. Its IUPAC name is N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine.

Molecular Properties

Compound NameN-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine
PubChem CID167692114
Molecular FormulaC91H141N9O3
Molecular Weight1409.19 g/mol
Exact Mass1408.12
IUPAC NameN-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine
SMILESCC(C)C1NCC2C1C2(C)C.CC(C)C1NCC2CCCC21.CC(C)CCc1ccccn1.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)NCc1ccccc1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.Cc1cnc(COC(C)C)cn1
InChIInChI=1S/C12H17N.C11H15N.2C10H19N.2C10H15N.C10H14O.C9H14N2O.C9H13NO/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-6(2)9-8-7(5-11-9)10(8,3)4;1-7(2)10-9-5-3-4-8(9)6-11-10;1-9(2)6-7-10-5-3-4-8-11-10;2*1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)12-6-9-5-10-8(3)4-11-9;1-8(2)11-7-9-5-3-4-6-10-9/h3-6,10H,7-9H2,1-2H3;3-6,9H,7-8H2,1-2H3;6-9,11H,5H2,1-4H3;7-11H,3-6H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;3-7,9,11H,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-5,7H,6H2,1-3H3;3-6,8H,7H2,1-2H3
InChIKeyXCHWVRWRLNZBRJ-UHFFFAOYSA-N
XLogP19.96
TPSA121.82 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001409.19
LogP ≤ 519.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine with MolForge

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Related Compounds

N-benzylpropan-2-amine;1-phenyl-N-propan-2-ylcyclopropan-1-amine;2-phenyl-N-propan-2-ylpropan-2-amine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;(1-propan-2-yloxycyclopropyl)benzene;2-(1-propan-2-yloxycyclopropyl)pyridine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;2-propan-2-yloxypropan-2-ylbenzene;2-(2-propan-2-yloxypropan-2-yl)pyridine;2-propan-2-ylpyrazine;N-propan-2-yl-1-pyridin-2-ylcyclopropan-1-amine;N-propan-2-yl-2-pyridin-2-ylpropan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine
CID 165039470
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
N-methyl-2-[(16R,17S)-2-oxo-4-propan-2-yl-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10-trien-17-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 86769105
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
(1-cyclobutyl-3-pyridin-2-ylpropyl)hydrazine
CID 105340146
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 105166115
2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 103503493
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 45247271
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950036
1-[(5-methylpyrazin-2-yl)methyl]-3-phenyl-1,4-diazepane
CID 64949388

Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine?
The IUPAC name of N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine (CID 167692114) is N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine.
What is the SMILES notation for N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine?
The canonical SMILES for N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine is CC(C)C1NCC2C1C2(C)C.CC(C)C1NCC2CCCC21.CC(C)CCc1ccccn1.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)NCc1ccccc1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.Cc1cnc(COC(C)C)cn1.
What is the InChIKey of N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine?
The InChIKey is XCHWVRWRLNZBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C11H15N.2C10H19N.2C10H15N.C10H14O.C9H14N2O.C9H13NO/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-6(2)9-8-7(5-11-9)10(8,3)4;1-7(2)10-9-5-3-4-8(9)6-11-10;1-9(2)6-7-10-5-3-4-8-11-10;2*1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)12-6-9-5-10-8(3)4-11-9;1-8(2)11-7-9-5-3-4-6-10-9/h3-6,10H,7-9H2,1-2H3;3-6,9H,7-8H2,1-2H3;6-9,11H,5H2,1-4H3;7-11H,3-6H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;3-7,9,11H,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-5,7H,6H2,1-3H3;3-6,8H,7H2,1-2H3.
What are the key properties of N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine?
N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine has a molecular weight of 1409.19 g/mol, XLogP of 19.96, 19 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine is sourced from PubChem (CID 167692114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).