3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide

C17H32N2O — CID 80700576

IUPAC3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
SMILESCCC1CCC(NC(=O)CCC2CCCC(N)C2)C1C
InChIInChI=1S/C17H32N2O/c1-3-14-8-9-16(12(14)2)19-17(20)10-7-13-5-4-6-15(18)11-13/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyGGUNDJHNAQQJQB-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.22
Rot. Bonds5

About 3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide

3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide (PubChem CID 80700576) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
PubChem CID80700576
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
SMILESCCC1CCC(NC(=O)CCC2CCCC(N)C2)C1C
InChIInChI=1S/C17H32N2O/c1-3-14-8-9-16(12(14)2)19-17(20)10-7-13-5-4-6-15(18)11-13/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyGGUNDJHNAQQJQB-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide
CID 80701611
3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
CID 80701268
3-(2-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64915853
3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide
CID 80700308
3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64915659
N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide
CID 64922160
2-(1-aminocyclobutyl)-N-(3-ethyl-2-methylcyclopentyl)acetamide
CID 79854054
3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
CID 80700557
3-(3-aminocyclohexyl)-N-hexan-2-ylpropanamide
CID 80701095
3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
CID 114551074
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-2-oxoacetamide
CID 64917052
3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83118112

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide?
The IUPAC name of 3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide (CID 80700576) is 3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide.
What is the SMILES notation for 3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide?
The canonical SMILES for 3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide is CCC1CCC(NC(=O)CCC2CCCC(N)C2)C1C.
What is the InChIKey of 3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide?
The InChIKey is GGUNDJHNAQQJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-14-8-9-16(12(14)2)19-17(20)10-7-13-5-4-6-15(18)11-13/h12-16H,3-11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide?
3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide has a molecular weight of 280.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide is sourced from PubChem (CID 80700576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).