3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide

C13H27N3O — CID 79731374

IUPAC3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-3-16(4-2)13(17)9-10-15-12-7-5-11(14)6-8-12/h11-12,15H,3-10,14H2,1-2H3
InChIKeySXIBHTPRDKJNDV-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds6

About 3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide

3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide (PubChem CID 79731374) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide
PubChem CID79731374
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-3-16(4-2)13(17)9-10-15-12-7-5-11(14)6-8-12/h11-12,15H,3-10,14H2,1-2H3
InChIKeySXIBHTPRDKJNDV-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide
CID 80560855
N-(2-amino-2-oxoethyl)-3-(cyclopropylamino)-N-ethylpropanamide
CID 103101974
3-[3-(cyclopropylamino)propanoyl-ethylamino]propanoic acid
CID 62328828
N,N-bis(2-amino-2-oxoethyl)-3-(cyclopropylamino)propanamide
CID 62921745
N-cyclopropyl-3-(cyclopropylamino)-N-ethylpropanamide
CID 60841219
3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide
CID 80706316
3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 60938684
3-(cyclopentylmethylamino)-N,N-diethylpropanamide
CID 62069829
N,N-dicyclohexyl-3-(cyclopropylamino)propanamide
CID 60842293
3-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]-N,N-diethylpropanamide
CID 60925606
2-amino-N-[3-(diethylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 64824545
3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide
CID 115710436

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide (CID 79731374) is 3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide?
The InChIKey is SXIBHTPRDKJNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-16(4-2)13(17)9-10-15-12-7-5-11(14)6-8-12/h11-12,15H,3-10,14H2,1-2H3.
What are the key properties of 3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide?
3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 79731374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).