1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol

C16H31NO — CID 65106934

IUPAC1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCCC(NCC2(O)CCCCC2)CC1
InChIInChI=1S/C16H31NO/c1-2-14-7-6-8-15(10-9-14)17-13-16(18)11-4-3-5-12-16/h14-15,17-18H,2-13H2,1H3
InChIKeyUVGUASCHBNKGNS-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.63
Rot. Bonds4

About 1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol

1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65106934) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
PubChem CID65106934
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCCC(NCC2(O)CCCCC2)CC1
InChIInChI=1S/C16H31NO/c1-2-14-7-6-8-15(10-9-14)17-13-16(18)11-4-3-5-12-16/h14-15,17-18H,2-13H2,1H3
InChIKeyUVGUASCHBNKGNS-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
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-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[[(3-ethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 65105950
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[[(4,4-dimethylcycloheptyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65116174
1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 63490303
1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 103625161
1-[[(3-ethylcyclohexyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115804
4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol
CID 79033062
4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428536
4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 103881245

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol (CID 65106934) is 1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol is CCC1CCCC(NCC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is UVGUASCHBNKGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-14-7-6-8-15(10-9-14)17-13-16(18)11-4-3-5-12-16/h14-15,17-18H,2-13H2,1H3.
What are the key properties of 1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol?
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65106934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).