(E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine

C10H18N2 — CID 166976303

IUPAC(E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine
SMILESC/C=C\C=N\C(=C\CC)CNC
InChIInChI=1S/C10H18N2/c1-4-6-8-12-10(7-5-2)9-11-3/h4,6-8,11H,5,9H2,1-3H3/b6-4-,10-7+,12-8+
InChIKeyFGTVCZFCWXMMJR-PPIPTFOUSA-N
MW166.27 g/mol
LogP2.15
Rot. Bonds5

About (E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine

(E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine (PubChem CID 166976303) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine
PubChem CID166976303
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine
SMILESC/C=C\C=N\C(=C\CC)CNC
InChIInChI=1S/C10H18N2/c1-4-6-8-12-10(7-5-2)9-11-3/h4,6-8,11H,5,9H2,1-3H3/b6-4-,10-7+,12-8+
InChIKeyFGTVCZFCWXMMJR-PPIPTFOUSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.15
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 (E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine?
The IUPAC name of (E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine (CID 166976303) is (E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine.
What is the SMILES notation for (E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine?
The canonical SMILES for (E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine is C/C=C\C=N\C(=C\CC)CNC.
What is the InChIKey of (E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine?
The InChIKey is FGTVCZFCWXMMJR-PPIPTFOUSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-8-12-10(7-5-2)9-11-3/h4,6-8,11H,5,9H2,1-3H3/b6-4-,10-7+,12-8+.
What are the key properties of (E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine?
(E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine is sourced from PubChem (CID 166976303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).