1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol

C16H31NO — CID 60969055

IUPAC1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol
SMILESCCC1CCC(NCC2(O)CCCCCC2)CC1
InChIInChI=1S/C16H31NO/c1-2-14-7-9-15(10-8-14)17-13-16(18)11-5-3-4-6-12-16/h14-15,17-18H,2-13H2,1H3
InChIKeyOELMVTNHKPFLAM-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.63
Rot. Bonds4

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

1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol (PubChem CID 60969055) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol
PubChem CID60969055
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol
SMILESCCC1CCC(NCC2(O)CCCCCC2)CC1
InChIInChI=1S/C16H31NO/c1-2-14-7-9-15(10-8-14)17-13-16(18)11-5-3-4-6-12-16/h14-15,17-18H,2-13H2,1H3
InChIKeyOELMVTNHKPFLAM-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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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol (CID 60969055) is 1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol is CCC1CCC(NCC2(O)CCCCCC2)CC1.
What is the InChIKey of 1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is OELMVTNHKPFLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-14-7-9-15(10-8-14)17-13-16(18)11-5-3-4-6-12-16/h14-15,17-18H,2-13H2,1H3.
What are the key properties of 1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol?
1-[[(4-ethylcyclohexyl)amino]methyl]cycloheptan-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-ethylcyclohexyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 60969055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).