2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol

C16H31NO — CID 54880888

IUPAC2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol
SMILESCCC1CCC(CNC2CCCCCC2O)CC1
InChIInChI=1S/C16H31NO/c1-2-13-8-10-14(11-9-13)12-17-15-6-4-3-5-7-16(15)18/h13-18H,2-12H2,1H3
InChIKeyNCBGRSMXXYOMAG-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.49
Rot. Bonds4

About 2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol

2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol (PubChem CID 54880888) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol
PubChem CID54880888
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol
SMILESCCC1CCC(CNC2CCCCCC2O)CC1
InChIInChI=1S/C16H31NO/c1-2-13-8-10-14(11-9-13)12-17-15-6-4-3-5-7-16(15)18/h13-18H,2-12H2,1H3
InChIKeyNCBGRSMXXYOMAG-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol?
The IUPAC name of 2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol (CID 54880888) is 2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol?
The canonical SMILES for 2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol is CCC1CCC(CNC2CCCCCC2O)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol?
The InChIKey is NCBGRSMXXYOMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-13-8-10-14(11-9-13)12-17-15-6-4-3-5-7-16(15)18/h13-18H,2-12H2,1H3.
What are the key properties of 2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol?
2-[(4-ethylcyclohexyl)methylamino]cycloheptan-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 2-[(4-ethylcyclohexyl)methylamino]cycloheptan-1-ol is sourced from PubChem (CID 54880888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).