1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol

C16H31NO — CID 65115804

IUPAC1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCCC1CCCC(NCC2(O)CCC(C)CC2)C1
InChIInChI=1S/C16H31NO/c1-3-14-5-4-6-15(11-14)17-12-16(18)9-7-13(2)8-10-16/h13-15,17-18H,3-12H2,1-2H3
InChIKeyMUVMWEGOVFDQJX-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.49
Rot. Bonds4

About 1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115804) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65115804
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCCC1CCCC(NCC2(O)CCC(C)CC2)C1
InChIInChI=1S/C16H31NO/c1-3-14-5-4-6-15(11-14)17-12-16(18)9-7-13(2)8-10-16/h13-15,17-18H,3-12H2,1-2H3
InChIKeyMUVMWEGOVFDQJX-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3-ethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 65105949
4-methyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428533
1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377
4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol
CID 79033062
4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428536
1-[[(3-ethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 65105950
3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol
CID 111629673
4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65116235
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 65106934
1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082633
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65116174

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol (CID 65115804) is 1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol is CCC1CCCC(NCC2(O)CCC(C)CC2)C1.
What is the InChIKey of 1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is MUVMWEGOVFDQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-14-5-4-6-15(11-14)17-12-16(18)9-7-13(2)8-10-16/h13-15,17-18H,3-12H2,1-2H3.
What are the key properties of 1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).