3-[4-aminobutyl(methyl)amino]-N-methylpropanamide

C9H21N3O — CID 106914832

IUPAC3-[4-aminobutyl(methyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CCCCN
InChIInChI=1S/C9H21N3O/c1-11-9(13)5-8-12(2)7-4-3-6-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyKETRZWVEGZVQBD-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.21
Rot. Bonds7

About 3-[4-aminobutyl(methyl)amino]-N-methylpropanamide

3-[4-aminobutyl(methyl)amino]-N-methylpropanamide (PubChem CID 106914832) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-[4-aminobutyl(methyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-aminobutyl(methyl)amino]-N-methylpropanamide
PubChem CID106914832
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-[4-aminobutyl(methyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CCCCN
InChIInChI=1S/C9H21N3O/c1-11-9(13)5-8-12(2)7-4-3-6-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyKETRZWVEGZVQBD-UHFFFAOYSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
2-[4-aminobutyl(methyl)amino]-N-methylacetamide
CID 43374665
methyl 3-[4-aminobutyl(methyl)amino]propanoate
CID 63380446
N-methyl-8-[methyl(propyl)amino]octanamide
CID 88909699
3-[2-[5-aminopentyl-[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105591
3-[3-aminopropylsulfonyl(methyl)amino]-N-methylpropanamide
CID 106915137
3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide
CID 102040289
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
CID 106915767
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
6-(dimethylamino)-N-methylhexanamide
CID 58019688
2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838

Frequently Asked Questions

What is the IUPAC name of 3-[4-aminobutyl(methyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[4-aminobutyl(methyl)amino]-N-methylpropanamide (CID 106914832) is 3-[4-aminobutyl(methyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[4-aminobutyl(methyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[4-aminobutyl(methyl)amino]-N-methylpropanamide is CNC(=O)CCN(C)CCCCN.
What is the InChIKey of 3-[4-aminobutyl(methyl)amino]-N-methylpropanamide?
The InChIKey is KETRZWVEGZVQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-11-9(13)5-8-12(2)7-4-3-6-10/h3-8,10H2,1-2H3,(H,11,13).
What are the key properties of 3-[4-aminobutyl(methyl)amino]-N-methylpropanamide?
3-[4-aminobutyl(methyl)amino]-N-methylpropanamide has a molecular weight of 187.29 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-aminobutyl(methyl)amino]-N-methylpropanamide is sourced from PubChem (CID 106914832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).