2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide

C11H23N3O — CID 79459315

IUPAC2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC1CCCC(N)C1
InChIInChI=1S/C11H23N3O/c1-3-13-11(15)8(2)14-10-6-4-5-9(12)7-10/h8-10,14H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyIRKANKYIBYFUJH-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.37
Rot. Bonds4

About 2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide

2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide (PubChem CID 79459315) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide
PubChem CID79459315
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC1CCCC(N)C1
InChIInChI=1S/C11H23N3O/c1-3-13-11(15)8(2)14-10-6-4-5-9(12)7-10/h8-10,14H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyIRKANKYIBYFUJH-UHFFFAOYSA-N
XLogP0.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[(3-ethylcyclohexyl)amino]propanamide
CID 64741063
N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide
CID 65074151
(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride
CID 130616794
N-ethyl-2-[(1-ethylpiperidin-4-yl)amino]propanamide
CID 43400100
2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide
CID 43236392
2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide
CID 43085824
ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate
CID 107428371
methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate
CID 79462002
tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
CID 107248120
N-(2-methoxyethyl)-2-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448750
(2R)-2-[(3-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 103903038
N-ethyl-2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43400111

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide (CID 79459315) is 2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)NC1CCCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide?
The InChIKey is IRKANKYIBYFUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-13-11(15)8(2)14-10-6-4-5-9(12)7-10/h8-10,14H,3-7,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide?
2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 79459315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).