2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol

C15H29NO — CID 64929467

IUPAC2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(NCC2CCCCC2O)C(C)C1
InChIInChI=1S/C15H29NO/c1-11-7-8-14(12(2)9-11)16-10-13-5-3-4-6-15(13)17/h11-17H,3-10H2,1-2H3
InChIKeyJQWZRMTWRRTJTR-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.95
Rot. Bonds3

About 2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol

2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol (PubChem CID 64929467) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
PubChem CID64929467
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(NCC2CCCCC2O)C(C)C1
InChIInChI=1S/C15H29NO/c1-11-7-8-14(12(2)9-11)16-10-13-5-3-4-6-15(13)17/h11-17H,3-10H2,1-2H3
InChIKeyJQWZRMTWRRTJTR-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64929988
4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 106127277
N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine
CID 131175670
2-[[(2-methylthian-3-yl)amino]methyl]cyclohexan-1-ol
CID 79957776
trans-(1R,2R)-2-[(2-methylcyclopropyl)methylamino]cyclopentan-1-ol
CID 102734052
trans-(1R,2R)-2-[(2-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107417907
2-[(2-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107418182
2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 63995122
2-[(cycloheptylamino)methyl]cyclohexan-1-ol
CID 64928206
2-[(3-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107412781
2-[[(3-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64926892
cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol
CID 124834672

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol (CID 64929467) is 2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol is CC1CCC(NCC2CCCCC2O)C(C)C1.
What is the InChIKey of 2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is JQWZRMTWRRTJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-7-8-14(12(2)9-11)16-10-13-5-3-4-6-15(13)17/h11-17H,3-10H2,1-2H3.
What are the key properties of 2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).