1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol

C18H35NO — CID 65116174

IUPAC1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCCC(C)(C)CC2)CC1
InChIInChI=1S/C18H35NO/c1-4-15-7-12-18(20,13-8-15)14-19-16-6-5-10-17(2,3)11-9-16/h15-16,19-20H,4-14H2,1-3H3
InChIKeyYJAYGPNWQFOXPM-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.27
Rot. Bonds4

About 1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol

1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65116174) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID65116174
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNC2CCCC(C)(C)CC2)CC1
InChIInChI=1S/C18H35NO/c1-4-15-7-12-18(20,13-8-15)14-19-16-6-5-10-17(2,3)11-9-16/h15-16,19-20H,4-14H2,1-3H3
InChIKeyYJAYGPNWQFOXPM-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol with MolForge

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Related Compounds

4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 65106934
4-ethyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116047
4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65116235
1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 65116415
4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428536
4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 65116040
2-(cyclopentylamino)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65120006
1-[[(3-ethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 65105949
1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377
1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115804
4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65118682

Frequently Asked Questions

What is the IUPAC name of 1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 65116174) is 1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNC2CCCC(C)(C)CC2)CC1.
What is the InChIKey of 1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is YJAYGPNWQFOXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-15-7-12-18(20,13-8-15)14-19-16-6-5-10-17(2,3)11-9-16/h15-16,19-20H,4-14H2,1-3H3.
What are the key properties of 1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 281.48 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65116174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).