3-propyliminopropan-1-amine

C6H14N2 — CID 54169294

IUPAC3-propyliminopropan-1-amine
SMILESCCC/N=C/CCN
InChIInChI=1S/C6H14N2/c1-2-5-8-6-3-4-7/h6H,2-5,7H2,1H3/b8-6+
InChIKeyJOIQCIQVJRAXSJ-SOFGYWHQSA-N
MW114.19 g/mol
LogP0.82
Rot. Bonds4

About 3-propyliminopropan-1-amine

3-propyliminopropan-1-amine (PubChem CID 54169294) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-propyliminopropan-1-amine.

Molecular Properties

Compound Name3-propyliminopropan-1-amine
PubChem CID54169294
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name3-propyliminopropan-1-amine
SMILESCCC/N=C/CCN
InChIInChI=1S/C6H14N2/c1-2-5-8-6-3-4-7/h6H,2-5,7H2,1H3/b8-6+
InChIKeyJOIQCIQVJRAXSJ-SOFGYWHQSA-N
XLogP0.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propyliminopropan-1-amine?
The IUPAC name of 3-propyliminopropan-1-amine (CID 54169294) is 3-propyliminopropan-1-amine.
What is the SMILES notation for 3-propyliminopropan-1-amine?
The canonical SMILES for 3-propyliminopropan-1-amine is CCC/N=C/CCN.
What is the InChIKey of 3-propyliminopropan-1-amine?
The InChIKey is JOIQCIQVJRAXSJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H14N2/c1-2-5-8-6-3-4-7/h6H,2-5,7H2,1H3/b8-6+.
What are the key properties of 3-propyliminopropan-1-amine?
3-propyliminopropan-1-amine has a molecular weight of 114.19 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyliminopropan-1-amine is sourced from PubChem (CID 54169294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).