(Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine

C9H14N2 — CID 89170167

IUPAC(Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine
SMILESC=C(/N=C/C=C(/C)N)C1CC1
InChIInChI=1S/C9H14N2/c1-7(10)5-6-11-8(2)9-3-4-9/h5-6,9H,2-4,10H2,1H3/b7-5-,11-6+
InChIKeyQHAVTHOFLZUEMZ-LAVHUSFLSA-N
MW150.22 g/mol
LogP1.84
Rot. Bonds3

About (Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine

(Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine (PubChem CID 89170167) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine
PubChem CID89170167
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine
SMILESC=C(/N=C/C=C(/C)N)C1CC1
InChIInChI=1S/C9H14N2/c1-7(10)5-6-11-8(2)9-3-4-9/h5-6,9H,2-4,10H2,1H3/b7-5-,11-6+
InChIKeyQHAVTHOFLZUEMZ-LAVHUSFLSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.84
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 (Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine?
The IUPAC name of (Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine (CID 89170167) is (Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine.
What is the SMILES notation for (Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine?
The canonical SMILES for (Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine is C=C(/N=C/C=C(/C)N)C1CC1.
What is the InChIKey of (Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine?
The InChIKey is QHAVTHOFLZUEMZ-LAVHUSFLSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(10)5-6-11-8(2)9-3-4-9/h5-6,9H,2-4,10H2,1H3/b7-5-,11-6+.
What are the key properties of (Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine?
(Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine is sourced from PubChem (CID 89170167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).