3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide

C17H32N2O — CID 64915853

IUPAC3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
SMILESCCC1CCC(NC(=O)C2CCCC(CCN)C2)C1C
InChIInChI=1S/C17H32N2O/c1-3-14-7-8-16(12(14)2)19-17(20)15-6-4-5-13(11-15)9-10-18/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyCGPCKOHANGBCHU-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.08
Rot. Bonds5

About 3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide

3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide (PubChem CID 64915853) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
PubChem CID64915853
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
SMILESCCC1CCC(NC(=O)C2CCCC(CCN)C2)C1C
InChIInChI=1S/C17H32N2O/c1-3-14-7-8-16(12(14)2)19-17(20)15-6-4-5-13(11-15)9-10-18/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyCGPCKOHANGBCHU-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide (CID 64915853) is 3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide is CCC1CCC(NC(=O)C2CCCC(CCN)C2)C1C.
What is the InChIKey of 3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide?
The InChIKey is CGPCKOHANGBCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-14-7-8-16(12(14)2)19-17(20)15-6-4-5-13(11-15)9-10-18/h12-16H,3-11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide?
3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64915853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).