4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol

C14H27NO — CID 64773705

IUPAC4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol
SMILESCC1CCC(C)C(NC2CCC(O)CC2)C1
InChIInChI=1S/C14H27NO/c1-10-3-4-11(2)14(9-10)15-12-5-7-13(16)8-6-12/h10-16H,3-9H2,1-2H3
InChIKeyATXQFGXVFDBNGE-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.70
Rot. Bonds2

About 4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol

4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol (PubChem CID 64773705) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol
PubChem CID64773705
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol
SMILESCC1CCC(C)C(NC2CCC(O)CC2)C1
InChIInChI=1S/C14H27NO/c1-10-3-4-11(2)14(9-10)15-12-5-7-13(16)8-6-12/h10-16H,3-9H2,1-2H3
InChIKeyATXQFGXVFDBNGE-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-2,5-dimethylcyclohexan-1-amine
CID 64761311
4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid
CID 65055017
2-[4-[(2,5-dimethylcyclohexyl)amino]piperidin-1-yl]acetamide
CID 64761265
2,4-dimethyl-N-(3-methylcyclopentyl)cyclohexan-1-amine
CID 64501138
[2-[(2,5-dimethylcyclohexyl)amino]cyclopentyl]methanol
CID 106359519
4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 106127277
trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
CID 124677465
4-methylcyclohexan-1-ol
CID 11524
cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane
CID 171838675
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
3-methylcyclopentan-1-ol;yttrium
CID 178142170
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol (CID 64773705) is 4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol is CC1CCC(C)C(NC2CCC(O)CC2)C1.
What is the InChIKey of 4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol?
The InChIKey is ATXQFGXVFDBNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10-3-4-11(2)14(9-10)15-12-5-7-13(16)8-6-12/h10-16H,3-9H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol?
4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylcyclohexyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 64773705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).