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

C12H19N3O — CID 102640081

IUPAC2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccnc(N)c1)C1CCCCC1O
InChIInChI=1S/C12H19N3O/c1-15(9-6-7-14-12(13)8-9)10-4-2-3-5-11(10)16/h6-8,10-11,16H,2-5H2,1H3,(H2,13,14)
InChIKeyKJDNFCPLDFUBLV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.40
Rot. Bonds2

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

2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol (PubChem CID 102640081) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol
PubChem CID102640081
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccnc(N)c1)C1CCCCC1O
InChIInChI=1S/C12H19N3O/c1-15(9-6-7-14-12(13)8-9)10-4-2-3-5-11(10)16/h6-8,10-11,16H,2-5H2,1H3,(H2,13,14)
InChIKeyKJDNFCPLDFUBLV-UHFFFAOYSA-N
XLogP1.40
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-methyl-4-pyridinyl)amino]cyclohexan-1-ol
CID 102635956
2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102824414
2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 103001945
2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol
CID 102631429
2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid
CID 102632507
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412
2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640178
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
2-[(3-fluoro-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635994
2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631354
2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol
CID 102635903
2-[methyl(pyridazin-3-yl)amino]cyclohexan-1-ol
CID 102636109

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol (CID 102640081) is 2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol is CN(c1ccnc(N)c1)C1CCCCC1O.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol?
The InChIKey is KJDNFCPLDFUBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(9-6-7-14-12(13)8-9)10-4-2-3-5-11(10)16/h6-8,10-11,16H,2-5H2,1H3,(H2,13,14).
What are the key properties of 2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol?
2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102640081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).