N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide

C9H21N3O — CID 59112836

IUPACN-[3-[3-aminopropyl(methyl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)CCCN
InChIInChI=1S/C9H21N3O/c1-9(13)11-6-4-8-12(2)7-3-5-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyQLTLIDUDFWWMJC-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.21
Rot. Bonds7

About N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide

N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide (PubChem CID 59112836) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-aminopropyl(methyl)amino]propyl]acetamide
PubChem CID59112836
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN-[3-[3-aminopropyl(methyl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)CCCN
InChIInChI=1S/C9H21N3O/c1-9(13)11-6-4-8-12(2)7-3-5-10/h3-8,10H2,1-2H3,(H,11,13)
InChIKeyQLTLIDUDFWWMJC-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

N-[3-[3-aminopropyl(methyl)amino]propyl]propanamide
CID 59112854
N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide
CID 87413302
4-[4-[4-[3-acetamidopropyl(methyl)amino]butyl-methylamino]butyl-methylamino]butanoic acid
CID 58587436
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide
CID 102040289
methyl N-(3-acetamidopropyl)-N-methylcarbamate
CID 89255429
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
N-(2-aminoethyl)acetamide;ethanamine
CID 142425997
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 156899705
N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine
CID 71344458
nonyl 8-[3-acetamidopropyl(methyl)amino]octanoate
CID 129232943
N-(3-acetamidopropyl)acetamide
CID 5147555

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide?
The IUPAC name of N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide (CID 59112836) is N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide is CC(=O)NCCCN(C)CCCN.
What is the InChIKey of N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide?
The InChIKey is QLTLIDUDFWWMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-9(13)11-6-4-8-12(2)7-3-5-10/h3-8,10H2,1-2H3,(H,11,13).
What are the key properties of N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide?
N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide 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 N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide is sourced from PubChem (CID 59112836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).