1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

C14H21ClN2O — CID 79841693

IUPAC1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNc2ccncc2Cl)CC1
InChIInChI=1S/C14H21ClN2O/c1-13(2)4-6-14(18,7-5-13)10-17-12-3-8-16-9-11(12)15/h3,8-9,18H,4-7,10H2,1-2H3,(H,16,17)
InChIKeyPAFKUKWWEAWRAF-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.48
Rot. Bonds3

About 1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 79841693) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID79841693
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNc2ccncc2Cl)CC1
InChIInChI=1S/C14H21ClN2O/c1-13(2)4-6-14(18,7-5-13)10-17-12-3-8-16-9-11(12)15/h3,8-9,18H,4-7,10H2,1-2H3,(H,16,17)
InChIKeyPAFKUKWWEAWRAF-UHFFFAOYSA-N
XLogP3.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
CID 65118181
[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112697538
1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 65122535
1-[[(3-chloro-4-pyridinyl)amino]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-ol
CID 166205556
1-[[(3-bromo-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 104777117
1-[[(3-amino-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115399
4-[[(3-chloro-4-pyridinyl)amino]methyl]oxane-4-carboxamide
CID 84595497
1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79728045
1-[[(3-bromo-4-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 113452037
1-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826151
1-[[(8-aminoisoquinolin-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115683
4,4-dimethyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118662

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 79841693) is 1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(CNc2ccncc2Cl)CC1.
What is the InChIKey of 1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is PAFKUKWWEAWRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-13(2)4-6-14(18,7-5-13)10-17-12-3-8-16-9-11(12)15/h3,8-9,18H,4-7,10H2,1-2H3,(H,16,17).
What are the key properties of 1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 268.79 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79841693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).