3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol

C16H31NO — CID 64736282

IUPAC3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CC(C)C(CN2CCCCCC2C)C(O)C1
InChIInChI=1S/C16H31NO/c1-12-9-13(2)15(16(18)10-12)11-17-8-6-4-5-7-14(17)3/h12-16,18H,4-11H2,1-3H3
InChIKeyWPLRXUAGPFFUPO-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.29
Rot. Bonds2

About 3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol

3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol (PubChem CID 64736282) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol
PubChem CID64736282
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CC(C)C(CN2CCCCCC2C)C(O)C1
InChIInChI=1S/C16H31NO/c1-12-9-13(2)15(16(18)10-12)11-17-8-6-4-5-7-14(17)3/h12-16,18H,4-11H2,1-3H3
InChIKeyWPLRXUAGPFFUPO-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3,5-dimethylcyclohexan-1-ol
CID 115562041
4-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 62610048
2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]-3,5-dimethylcyclohexan-1-ol
CID 81213508
2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane
CID 114421553
(2-methylpiperidin-1-yl)methanol
CID 67262865
2-[(3-ethoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735093
2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64753048
ethane;1-ethyl-2-methylazepane
CID 145020951
2-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736445
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
2-methyl-1-(methylsulfanylmethyl)piperidine
CID 167191719
2-methyl-1-pentylazepane
CID 134994557

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol (CID 64736282) is 3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol is CC1CC(C)C(CN2CCCCCC2C)C(O)C1.
What is the InChIKey of 3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is WPLRXUAGPFFUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12-9-13(2)15(16(18)10-12)11-17-8-6-4-5-7-14(17)3/h12-16,18H,4-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol?
3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64736282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).