2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine

C19H37N — CID 166645012

IUPAC2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine
SMILESCCNCCC1(CCC2CCCCCC2)CCCCC1
InChIInChI=1S/C19H37N/c1-2-20-17-16-19(13-8-5-9-14-19)15-12-18-10-6-3-4-7-11-18/h18,20H,2-17H2,1H3
InChIKeyFGHPCABWQWYGTB-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.69
Rot. Bonds7

About 2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine

2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine (PubChem CID 166645012) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine
PubChem CID166645012
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine
SMILESCCNCCC1(CCC2CCCCCC2)CCCCC1
InChIInChI=1S/C19H37N/c1-2-20-17-16-19(13-8-5-9-14-19)15-12-18-10-6-3-4-7-11-18/h18,20H,2-17H2,1H3
InChIKeyFGHPCABWQWYGTB-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine?
The IUPAC name of 2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine (CID 166645012) is 2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine?
The canonical SMILES for 2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine is CCNCCC1(CCC2CCCCCC2)CCCCC1.
What is the InChIKey of 2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine?
The InChIKey is FGHPCABWQWYGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-2-20-17-16-19(13-8-5-9-14-19)15-12-18-10-6-3-4-7-11-18/h18,20H,2-17H2,1H3.
What are the key properties of 2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine?
2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine has a molecular weight of 279.51 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine is sourced from PubChem (CID 166645012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).