4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide

C10H21N3O — CID 63893076

IUPAC4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide
SMILESCNC(=O)CCCN(CCN)C1CC1
InChIInChI=1S/C10H21N3O/c1-12-10(14)3-2-7-13(8-6-11)9-4-5-9/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyDLGOUOGQEKKDIE-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.06
Rot. Bonds7

About 4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide

4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide (PubChem CID 63893076) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide
PubChem CID63893076
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide
SMILESCNC(=O)CCCN(CCN)C1CC1
InChIInChI=1S/C10H21N3O/c1-12-10(14)3-2-7-13(8-6-11)9-4-5-9/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyDLGOUOGQEKKDIE-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide 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

4-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbutanamide
CID 63892543
4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
CID 79116146
4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide
CID 79120771
4-[2-aminoethyl(cyclopentyl)amino]-N,N-dimethylbutanamide
CID 63759502
2-[3-aminopropyl(cyclopentyl)amino]-N-methylacetamide
CID 43137553
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
N'-cyclopropyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 83157183
3-[3-aminopropyl(cyclopropyl)amino]-N,N-dimethylpropanamide
CID 60960646
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
5-[cyclopropyl(3-methylbutyl)amino]pentan-2-one
CID 78974221
2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 61486524

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide?
The IUPAC name of 4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide (CID 63893076) is 4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide.
What is the SMILES notation for 4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide?
The canonical SMILES for 4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide is CNC(=O)CCCN(CCN)C1CC1.
What is the InChIKey of 4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide?
The InChIKey is DLGOUOGQEKKDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12-10(14)3-2-7-13(8-6-11)9-4-5-9/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide?
4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide has a molecular weight of 199.30 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(cyclopropyl)amino]-N-methylbutanamide is sourced from PubChem (CID 63893076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).