(3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine

C9H16N2 — CID 143106677

IUPAC(3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine
SMILESC=C/C(=C\C=N\C)NCCC
InChIInChI=1S/C9H16N2/c1-4-7-11-9(5-2)6-8-10-3/h5-6,8,11H,2,4,7H2,1,3H3/b9-6+,10-8+
InChIKeyGLWCUGQTUCUTID-OAMUUVBCSA-N
MW152.24 g/mol
LogP1.76
Rot. Bonds5

About (3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine

(3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine (PubChem CID 143106677) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine
PubChem CID143106677
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine
SMILESC=C/C(=C\C=N\C)NCCC
InChIInChI=1S/C9H16N2/c1-4-7-11-9(5-2)6-8-10-3/h5-6,8,11H,2,4,7H2,1,3H3/b9-6+,10-8+
InChIKeyGLWCUGQTUCUTID-OAMUUVBCSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine?
The IUPAC name of (3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine (CID 143106677) is (3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine?
The canonical SMILES for (3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine is C=C/C(=C\C=N\C)NCCC.
What is the InChIKey of (3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine?
The InChIKey is GLWCUGQTUCUTID-OAMUUVBCSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-7-11-9(5-2)6-8-10-3/h5-6,8,11H,2,4,7H2,1,3H3/b9-6+,10-8+.
What are the key properties of (3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine?
(3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine has a molecular weight of 152.24 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine is sourced from PubChem (CID 143106677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).