1-(4-aminobutylamino)propan-2-one

C7H16N2O — CID 89166237

IUPAC1-(4-aminobutylamino)propan-2-one
SMILESCC(=O)CNCCCCN
InChIInChI=1S/C7H16N2O/c1-7(10)6-9-5-3-2-4-8/h9H,2-6,8H2,1H3
InChIKeyBLMZQHDCGNILQN-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.10
Rot. Bonds6

About 1-(4-aminobutylamino)propan-2-one

1-(4-aminobutylamino)propan-2-one (PubChem CID 89166237) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-(4-aminobutylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-aminobutylamino)propan-2-one
PubChem CID89166237
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-(4-aminobutylamino)propan-2-one
SMILESCC(=O)CNCCCCN
InChIInChI=1S/C7H16N2O/c1-7(10)6-9-5-3-2-4-8/h9H,2-6,8H2,1H3
InChIKeyBLMZQHDCGNILQN-UHFFFAOYSA-N
XLogP-0.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.10
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutylamino)propan-2-one?
The IUPAC name of 1-(4-aminobutylamino)propan-2-one (CID 89166237) is 1-(4-aminobutylamino)propan-2-one.
What is the SMILES notation for 1-(4-aminobutylamino)propan-2-one?
The canonical SMILES for 1-(4-aminobutylamino)propan-2-one is CC(=O)CNCCCCN.
What is the InChIKey of 1-(4-aminobutylamino)propan-2-one?
The InChIKey is BLMZQHDCGNILQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(10)6-9-5-3-2-4-8/h9H,2-6,8H2,1H3.
What are the key properties of 1-(4-aminobutylamino)propan-2-one?
1-(4-aminobutylamino)propan-2-one has a molecular weight of 144.22 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutylamino)propan-2-one is sourced from PubChem (CID 89166237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).