(4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine

C9H16N2 — CID 166814642

IUPAC(4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine
SMILES[H]/N=C/C(=C\CC)C(C=C)NC
InChIInChI=1S/C9H16N2/c1-4-6-8(7-10)9(5-2)11-3/h5-7,9-11H,2,4H2,1,3H3/b8-6+,10-7+
InChIKeyWSLKQHIBZFHUDV-NBANWCDVSA-N
MW152.24 g/mol
LogP1.75
Rot. Bonds5

About (4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine

(4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine (PubChem CID 166814642) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine.

Molecular Properties

Compound Name(4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine
PubChem CID166814642
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine
SMILES[H]/N=C/C(=C\CC)C(C=C)NC
InChIInChI=1S/C9H16N2/c1-4-6-8(7-10)9(5-2)11-3/h5-7,9-11H,2,4H2,1,3H3/b8-6+,10-7+
InChIKeyWSLKQHIBZFHUDV-NBANWCDVSA-N
XLogP1.75
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine?
The IUPAC name of (4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine (CID 166814642) is (4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine.
What is the SMILES notation for (4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine?
The canonical SMILES for (4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine is [H]/N=C/C(=C\CC)C(C=C)NC.
What is the InChIKey of (4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine?
The InChIKey is WSLKQHIBZFHUDV-NBANWCDVSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-6-8(7-10)9(5-2)11-3/h5-7,9-11H,2,4H2,1,3H3/b8-6+,10-7+.
What are the key properties of (4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine?
(4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine has a molecular weight of 152.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-methanimidoyl-N-methylhepta-1,4-dien-3-amine is sourced from PubChem (CID 166814642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).