1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol

C13H21N3O — CID 65115399

IUPAC1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccncc2N)CC1
InChIInChI=1S/C13H21N3O/c1-10-2-5-13(17,6-3-10)9-16-12-4-7-15-8-11(12)14/h4,7-8,10,17H,2-3,5-6,9,14H2,1H3,(H,15,16)
InChIKeyIIPQXTSAKVGAJJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.02
Rot. Bonds3

About 1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115399) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65115399
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccncc2N)CC1
InChIInChI=1S/C13H21N3O/c1-10-2-5-13(17,6-3-10)9-16-12-4-7-15-8-11(12)14/h4,7-8,10,17H,2-3,5-6,9,14H2,1H3,(H,15,16)
InChIKeyIIPQXTSAKVGAJJ-UHFFFAOYSA-N
XLogP2.02
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3-bromo-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 104777117
1-[[(8-aminoisoquinolin-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115683
1-[(2-amino-4-methylanilino)methyl]-4-methylcyclohexan-1-ol
CID 65115401
3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 106099560
4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
CID 65118652
1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79841693
1-[[(3-bromo-4-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 113452037
1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 65122535
4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 28902438
1-[(2-amino-5-bromo-4-fluoroanilino)methyl]-4-methylcyclohexan-1-ol
CID 116736031
1-[(cinnolin-4-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65118174
4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
CID 65116152

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol (CID 65115399) is 1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNc2ccncc2N)CC1.
What is the InChIKey of 1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is IIPQXTSAKVGAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-2-5-13(17,6-3-10)9-16-12-4-7-15-8-11(12)14/h4,7-8,10,17H,2-3,5-6,9,14H2,1H3,(H,15,16).
What are the key properties of 1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).