2-(prop-2-enylideneamino)propan-1-amine

C6H12N2 — CID 88877732

IUPAC2-(prop-2-enylideneamino)propan-1-amine
SMILESC=C/C=N/C(C)CN
InChIInChI=1S/C6H12N2/c1-3-4-8-6(2)5-7/h3-4,6H,1,5,7H2,2H3/b8-4+
InChIKeyHFKJXCNWBYQSIX-XBXARRHUSA-N
MW112.18 g/mol
LogP0.59
Rot. Bonds3

About 2-(prop-2-enylideneamino)propan-1-amine

2-(prop-2-enylideneamino)propan-1-amine (PubChem CID 88877732) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-(prop-2-enylideneamino)propan-1-amine.

Molecular Properties

Compound Name2-(prop-2-enylideneamino)propan-1-amine
PubChem CID88877732
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-(prop-2-enylideneamino)propan-1-amine
SMILESC=C/C=N/C(C)CN
InChIInChI=1S/C6H12N2/c1-3-4-8-6(2)5-7/h3-4,6H,1,5,7H2,2H3/b8-4+
InChIKeyHFKJXCNWBYQSIX-XBXARRHUSA-N
XLogP0.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.59
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 2-(prop-2-enylideneamino)propan-1-amine?
The IUPAC name of 2-(prop-2-enylideneamino)propan-1-amine (CID 88877732) is 2-(prop-2-enylideneamino)propan-1-amine.
What is the SMILES notation for 2-(prop-2-enylideneamino)propan-1-amine?
The canonical SMILES for 2-(prop-2-enylideneamino)propan-1-amine is C=C/C=N/C(C)CN.
What is the InChIKey of 2-(prop-2-enylideneamino)propan-1-amine?
The InChIKey is HFKJXCNWBYQSIX-XBXARRHUSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-8-6(2)5-7/h3-4,6H,1,5,7H2,2H3/b8-4+.
What are the key properties of 2-(prop-2-enylideneamino)propan-1-amine?
2-(prop-2-enylideneamino)propan-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylideneamino)propan-1-amine is sourced from PubChem (CID 88877732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).