4-amino-N-methyl-3-(propylamino)butanamide

C8H19N3O — CID 66427140

IUPAC4-amino-N-methyl-3-(propylamino)butanamide
SMILESCCCNC(CN)CC(=O)NC
InChIInChI=1S/C8H19N3O/c1-3-4-11-7(6-9)5-8(12)10-2/h7,11H,3-6,9H2,1-2H3,(H,10,12)
InChIKeyPSDTXRNDXICXTA-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.55
Rot. Bonds6

About 4-amino-N-methyl-3-(propylamino)butanamide

4-amino-N-methyl-3-(propylamino)butanamide (PubChem CID 66427140) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(propylamino)butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(propylamino)butanamide
PubChem CID66427140
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name4-amino-N-methyl-3-(propylamino)butanamide
SMILESCCCNC(CN)CC(=O)NC
InChIInChI=1S/C8H19N3O/c1-3-4-11-7(6-9)5-8(12)10-2/h7,11H,3-6,9H2,1-2H3,(H,10,12)
InChIKeyPSDTXRNDXICXTA-UHFFFAOYSA-N
XLogP-0.55
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide
CID 66429516
4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide
CID 114153809
4-amino-3-[2-(diethylamino)ethylamino]-N-propan-2-ylbutanamide
CID 66430169
4-amino-N-methyl-3-[methyl(propyl)amino]butanamide
CID 66426282
2-(propylamino)propanamide
CID 43086178
(2S)-2-(propylamino)propanamide
CID 28835957
4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 62065657
4,4-dimethoxy-2-N-propylbutane-1,2-diamine
CID 66268239
3,4-diamino-N-propylbutanamide
CID 66426337
4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide
CID 106841213
N-methyl-2-(propylamino)acetamide
CID 28586328
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(propylamino)butanamide?
The IUPAC name of 4-amino-N-methyl-3-(propylamino)butanamide (CID 66427140) is 4-amino-N-methyl-3-(propylamino)butanamide.
What is the SMILES notation for 4-amino-N-methyl-3-(propylamino)butanamide?
The canonical SMILES for 4-amino-N-methyl-3-(propylamino)butanamide is CCCNC(CN)CC(=O)NC.
What is the InChIKey of 4-amino-N-methyl-3-(propylamino)butanamide?
The InChIKey is PSDTXRNDXICXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-3-4-11-7(6-9)5-8(12)10-2/h7,11H,3-6,9H2,1-2H3,(H,10,12).
What are the key properties of 4-amino-N-methyl-3-(propylamino)butanamide?
4-amino-N-methyl-3-(propylamino)butanamide has a molecular weight of 173.26 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(propylamino)butanamide is sourced from PubChem (CID 66427140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).