1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

C15H25N3O — CID 83265937

IUPAC1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCc1cnc(NCC2(O)CCC(C)(C)CC2)cc1N
InChIInChI=1S/C15H25N3O/c1-11-9-17-13(8-12(11)16)18-10-15(19)6-4-14(2,3)5-7-15/h8-9,19H,4-7,10H2,1-3H3,(H3,16,17,18)
InChIKeyFQIQGXNOOSGLSA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.72
Rot. Bonds3

About 1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 83265937) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID83265937
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCc1cnc(NCC2(O)CCC(C)(C)CC2)cc1N
InChIInChI=1S/C15H25N3O/c1-11-9-17-13(8-12(11)16)18-10-15(19)6-4-14(2,3)5-7-15/h8-9,19H,4-7,10H2,1-3H3,(H3,16,17,18)
InChIKeyFQIQGXNOOSGLSA-UHFFFAOYSA-N
XLogP2.72
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol
CID 70689435
1-[(4-Aminopyridin-2-yl)amino]-2-methylpropan-2-ol
CID 65103257
2-Phenyl-1-(pyridin-2-ylamino)propan-2-ol
CID 72013847
N2-benzylpyridine-2,4-diamine
CID 61710330
(2S)-3-[4-(dimethylamino)phenyl]-2-(pyrimidin-4-ylamino)propan-1-ol
CID 97151168
2-(((2-(Dimethylamino)pyridin-4-yl)methyl)amino)cyclohexan-1-ol
CID 131703512
(3S)-3-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-2-methylbutan-2-ol
CID 59833625
3,3,4-Trimethyl-1-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 67363133
3,3,4-Trimethyl-1-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 67363219
1-[[[5-fluoro-2-[(E)-1-(2-methyl-3-pyridinyl)prop-1-enyl]pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 124128121
1-[4-amino-5-(N'-ethylcarbamimidoyl)-2-pyridinyl]-3-[1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]urea
CID 135293245
[(2Z,8S)-3-(4-fluorophenyl)-2-[2-(propylamino)-4-pyridinyl]-1,6,7,8-tetrahydro-1,4-diazocin-8-yl]methanol
CID 142175892

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 83265937) is 1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is Cc1cnc(NCC2(O)CCC(C)(C)CC2)cc1N.
What is the InChIKey of 1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is FQIQGXNOOSGLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-9-17-13(8-12(11)16)18-10-15(19)6-4-14(2,3)5-7-15/h8-9,19H,4-7,10H2,1-3H3,(H3,16,17,18).
What are the key properties of 1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 83265937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).