1-(propylideneamino)propan-1-amine

C6H14N2 — CID 91334835

IUPAC1-(propylideneamino)propan-1-amine
SMILESCCC=NC(N)CC
InChIInChI=1S/C6H14N2/c1-3-5-8-6(7)4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyOKLIKQWPPXAFLS-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.16
Rot. Bonds3

About 1-(propylideneamino)propan-1-amine

1-(propylideneamino)propan-1-amine (PubChem CID 91334835) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-(propylideneamino)propan-1-amine.

Molecular Properties

Compound Name1-(propylideneamino)propan-1-amine
PubChem CID91334835
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name1-(propylideneamino)propan-1-amine
SMILESCCC=NC(N)CC
InChIInChI=1S/C6H14N2/c1-3-5-8-6(7)4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyOKLIKQWPPXAFLS-UHFFFAOYSA-N
XLogP1.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.16
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 1-(propylideneamino)propan-1-amine?
The IUPAC name of 1-(propylideneamino)propan-1-amine (CID 91334835) is 1-(propylideneamino)propan-1-amine.
What is the SMILES notation for 1-(propylideneamino)propan-1-amine?
The canonical SMILES for 1-(propylideneamino)propan-1-amine is CCC=NC(N)CC.
What is the InChIKey of 1-(propylideneamino)propan-1-amine?
The InChIKey is OKLIKQWPPXAFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-5-8-6(7)4-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-(propylideneamino)propan-1-amine?
1-(propylideneamino)propan-1-amine has a molecular weight of 114.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylideneamino)propan-1-amine is sourced from PubChem (CID 91334835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).