4-(3-aminopropylimino)butan-1-amine

C7H17N3 — CID 23657850

IUPAC4-(3-aminopropylimino)butan-1-amine
SMILESNCCC/C=N/CCCN
InChIInChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+
InChIKeyYAVLYBVKPXLZEQ-UXBLZVDNSA-N
MW143.23 g/mol
LogP0.14
Rot. Bonds6

About 4-(3-aminopropylimino)butan-1-amine

4-(3-aminopropylimino)butan-1-amine (PubChem CID 23657850) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-(3-aminopropylimino)butan-1-amine.

Molecular Properties

Compound Name4-(3-aminopropylimino)butan-1-amine
PubChem CID23657850
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name4-(3-aminopropylimino)butan-1-amine
SMILESNCCC/C=N/CCCN
InChIInChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+
InChIKeyYAVLYBVKPXLZEQ-UXBLZVDNSA-N
XLogP0.14
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(butylideneamino)pentan-1-amine
CID 58308982
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
CID 57277505
2-(undec-10-enylideneamino)ethanamine
CID 121341438
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N,N'-didecylpentane-1,5-diimine
CID 118371796
N-tetradecyltridecan-1-imine
CID 175147598
N'-[(E)-4-aminobutylideneamino]propane-1,3-diamine
CID 135256608
(4E)-4-(oxiran-2-ylimino)butan-1-amine
CID 58907663
N-(3-trimethoxysilylpropyl)hexan-1-imine
CID 87448623
4-aminobutanethial
CID 22349328
4-(5-oxopentylideneamino)butanoic acid
CID 88555406

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylimino)butan-1-amine?
The IUPAC name of 4-(3-aminopropylimino)butan-1-amine (CID 23657850) is 4-(3-aminopropylimino)butan-1-amine.
What is the SMILES notation for 4-(3-aminopropylimino)butan-1-amine?
The canonical SMILES for 4-(3-aminopropylimino)butan-1-amine is NCCC/C=N/CCCN.
What is the InChIKey of 4-(3-aminopropylimino)butan-1-amine?
The InChIKey is YAVLYBVKPXLZEQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/b10-6+.
What are the key properties of 4-(3-aminopropylimino)butan-1-amine?
4-(3-aminopropylimino)butan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylimino)butan-1-amine is sourced from PubChem (CID 23657850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).