1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol

C12H19N3O — CID 114947474

IUPAC1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(N)ccn1
InChIInChI=1S/C12H19N3O/c1-15(9-12(16)5-2-3-6-12)11-8-10(13)4-7-14-11/h4,7-8,16H,2-3,5-6,9H2,1H3,(H2,13,14)
InChIKeyHRHHEVRBQYSPEE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.41
Rot. Bonds3

About 1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol

1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114947474) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114947474
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(N)ccn1
InChIInChI=1S/C12H19N3O/c1-15(9-12(16)5-2-3-6-12)11-8-10(13)4-7-14-11/h4,7-8,16H,2-3,5-6,9H2,1H3,(H2,13,14)
InChIKeyHRHHEVRBQYSPEE-UHFFFAOYSA-N
XLogP1.41
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 114952353
1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 107542282
1-[[(6-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114953942
1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951033
1-[[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114954053
1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947310
1-[[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 104985489
1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol
CID 114947477
1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114952107
1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 84595345
5-amino-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
CID 103287528
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide
CID 113322275

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol (CID 114947474) is 1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1cc(N)ccn1.
What is the InChIKey of 1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is HRHHEVRBQYSPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(9-12(16)5-2-3-6-12)11-8-10(13)4-7-14-11/h4,7-8,16H,2-3,5-6,9H2,1H3,(H2,13,14).
What are the key properties of 1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114947474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).