1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol

C15H25N3O — CID 114947854

IUPAC1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCc1cc(C)c(CN)c(N(C)CC2(O)CCCC2)n1
InChIInChI=1S/C15H25N3O/c1-11-8-12(2)17-14(13(11)9-16)18(3)10-15(19)6-4-5-7-15/h8,19H,4-7,9-10,16H2,1-3H3
InChIKeyROIHCEWLLSNRHG-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.90
Rot. Bonds4

About 1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol

1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114947854) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114947854
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCc1cc(C)c(CN)c(N(C)CC2(O)CCCC2)n1
InChIInChI=1S/C15H25N3O/c1-11-8-12(2)17-14(13(11)9-16)18(3)10-15(19)6-4-5-7-15/h8,19H,4-7,9-10,16H2,1-3H3
InChIKeyROIHCEWLLSNRHG-UHFFFAOYSA-N
XLogP1.90
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 114952384
3-(aminomethyl)-N,4,6-trimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61430774
3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine
CID 62983904
1-[[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114947832
2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid
CID 114949848
3-(aminomethyl)-N,4,6-trimethyl-N-(2-phenylethyl)pyridin-2-amine
CID 65484864
3-(aminomethyl)-N,4,6-trimethyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79841926
1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 54994894
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,4,6-trimethylpyridin-2-amine
CID 55006873
3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine
CID 61175355
1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 107542282
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine
CID 61419922

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol (CID 114947854) is 1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol is Cc1cc(C)c(CN)c(N(C)CC2(O)CCCC2)n1.
What is the InChIKey of 1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is ROIHCEWLLSNRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-8-12(2)17-14(13(11)9-16)18(3)10-15(19)6-4-5-7-15/h8,19H,4-7,9-10,16H2,1-3H3.
What are the key properties of 1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114947854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).