2-propyliminobut-3-en-1-amine

C7H14N2 — CID 145443316

IUPAC2-propyliminobut-3-en-1-amine
SMILESC=C/C(CN)=N\CCC
InChIInChI=1S/C7H14N2/c1-3-5-9-7(4-2)6-8/h4H,2-3,5-6,8H2,1H3/b9-7+
InChIKeyIBIRENFMRJEFOE-VQHVLOKHSA-N
MW126.20 g/mol
LogP0.98
Rot. Bonds4

About 2-propyliminobut-3-en-1-amine

2-propyliminobut-3-en-1-amine (PubChem CID 145443316) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-propyliminobut-3-en-1-amine.

Molecular Properties

Compound Name2-propyliminobut-3-en-1-amine
PubChem CID145443316
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-propyliminobut-3-en-1-amine
SMILESC=C/C(CN)=N\CCC
InChIInChI=1S/C7H14N2/c1-3-5-9-7(4-2)6-8/h4H,2-3,5-6,8H2,1H3/b9-7+
InChIKeyIBIRENFMRJEFOE-VQHVLOKHSA-N
XLogP0.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.98
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-propyliminobut-3-en-1-amine?
The IUPAC name of 2-propyliminobut-3-en-1-amine (CID 145443316) is 2-propyliminobut-3-en-1-amine.
What is the SMILES notation for 2-propyliminobut-3-en-1-amine?
The canonical SMILES for 2-propyliminobut-3-en-1-amine is C=C/C(CN)=N\CCC.
What is the InChIKey of 2-propyliminobut-3-en-1-amine?
The InChIKey is IBIRENFMRJEFOE-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-9-7(4-2)6-8/h4H,2-3,5-6,8H2,1H3/b9-7+.
What are the key properties of 2-propyliminobut-3-en-1-amine?
2-propyliminobut-3-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyliminobut-3-en-1-amine is sourced from PubChem (CID 145443316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).