3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide

C17H32N2O — CID 80701611

IUPAC3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide
SMILESCCC1CCCCC1NC(=O)CCC1CCCC(N)C1
InChIInChI=1S/C17H32N2O/c1-2-14-7-3-4-9-16(14)19-17(20)11-10-13-6-5-8-15(18)12-13/h13-16H,2-12,18H2,1H3,(H,19,20)
InChIKeyNFWWHUFNSAIHJL-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.37
Rot. Bonds5

About 3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide

3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide (PubChem CID 80701611) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide
PubChem CID80701611
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide
SMILESCCC1CCCCC1NC(=O)CCC1CCCC(N)C1
InChIInChI=1S/C17H32N2O/c1-2-14-7-3-4-9-16(14)19-17(20)11-10-13-6-5-8-15(18)12-13/h13-16H,2-12,18H2,1H3,(H,19,20)
InChIKeyNFWWHUFNSAIHJL-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-aminocyclohexyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 80700576
3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
CID 80701268
3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide
CID 60867081
3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83118112
3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide
CID 80700308
3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
CID 80700557
N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide
CID 62955195
3-(3-aminocyclohexyl)-N-hexan-2-ylpropanamide
CID 80701095
3-(3-aminocyclohexyl)-N-(3,3-dimethylcyclopentyl)propanamide
CID 114551074
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
N-(2-ethylcyclopentyl)acetamide
CID 130891213
N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide
CID 106444163

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide?
The IUPAC name of 3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide (CID 80701611) is 3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide.
What is the SMILES notation for 3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide?
The canonical SMILES for 3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide is CCC1CCCCC1NC(=O)CCC1CCCC(N)C1.
What is the InChIKey of 3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide?
The InChIKey is NFWWHUFNSAIHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-14-7-3-4-9-16(14)19-17(20)11-10-13-6-5-8-15(18)12-13/h13-16H,2-12,18H2,1H3,(H,19,20).
What are the key properties of 3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide?
3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide has a molecular weight of 280.46 g/mol, XLogP of 3.37, 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-(2-ethylcyclohexyl)propanamide is sourced from PubChem (CID 80701611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).