[1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol

C16H31NO — CID 64753014

IUPAC[1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NC2CC(C)CC(C)C2)CC1
InChIInChI=1S/C16H31NO/c1-12-4-6-16(11-18,7-5-12)17-15-9-13(2)8-14(3)10-15/h12-15,17-18H,4-11H2,1-3H3
InChIKeyDRHJNBYSTGNKQO-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.34
Rot. Bonds3

About [1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol

[1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol (PubChem CID 64753014) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is [1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol
PubChem CID64753014
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name[1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NC2CC(C)CC(C)C2)CC1
InChIInChI=1S/C16H31NO/c1-12-4-6-16(11-18,7-5-12)17-15-9-13(2)8-14(3)10-15/h12-15,17-18H,4-11H2,1-3H3
InChIKeyDRHJNBYSTGNKQO-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol (CID 64753014) is [1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol is CC1CCC(CO)(NC2CC(C)CC(C)C2)CC1.
What is the InChIKey of [1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol?
The InChIKey is DRHJNBYSTGNKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12-4-6-16(11-18,7-5-12)17-15-9-13(2)8-14(3)10-15/h12-15,17-18H,4-11H2,1-3H3.
What are the key properties of [1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol?
[1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol has a molecular weight of 253.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethylcyclohexyl)amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 64753014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).