3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol

C12H19N3O — CID 106138027

IUPAC3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESCNc1cc(NCC2CCC(O)C2)ccn1
InChIInChI=1S/C12H19N3O/c1-13-12-7-10(4-5-14-12)15-8-9-2-3-11(16)6-9/h4-5,7,9,11,16H,2-3,6,8H2,1H3,(H2,13,14,15)
InChIKeyQCORMYYPYIJBAS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds4

About 3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol

3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol (PubChem CID 106138027) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol
PubChem CID106138027
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESCNc1cc(NCC2CCC(O)C2)ccn1
InChIInChI=1S/C12H19N3O/c1-13-12-7-10(4-5-14-12)15-8-9-2-3-11(16)6-9/h4-5,7,9,11,16H,2-3,6,8H2,1H3,(H2,13,14,15)
InChIKeyQCORMYYPYIJBAS-UHFFFAOYSA-N
XLogP1.70
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137975
3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 113367923
4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile
CID 106129313
3-[(pyrazin-2-ylamino)methyl]cyclopentan-1-ol
CID 103269740
3-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137892
2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106028932
4-[(3-hydroxycyclohexyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 103703448
4-[(pyridin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130739
3-[[3-(methylamino)-5-nitroanilino]methyl]cyclopentan-1-ol
CID 106138042
2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile
CID 103269649
N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide
CID 66004621
3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138429

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol (CID 106138027) is 3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol is CNc1cc(NCC2CCC(O)C2)ccn1.
What is the InChIKey of 3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is QCORMYYPYIJBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-13-12-7-10(4-5-14-12)15-8-9-2-3-11(16)6-9/h4-5,7,9,11,16H,2-3,6,8H2,1H3,(H2,13,14,15).
What are the key properties of 3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol?
3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106138027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).