(2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine

C9H14N2 — CID 126552969

IUPAC(2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine
SMILESC=C/N=C(C=C)/C(=C\C)NC
InChIInChI=1S/C9H14N2/c1-5-8(10-4)9(6-2)11-7-3/h5-7,10H,2-3H2,1,4H3/b8-5+,11-9+
InChIKeyNVMHVDFTGRHFQM-OSODFHRSSA-N
MW150.22 g/mol
LogP1.88
Rot. Bonds4

About (2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine

(2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine (PubChem CID 126552969) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine.

Molecular Properties

Compound Name(2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine
PubChem CID126552969
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine
SMILESC=C/N=C(C=C)/C(=C\C)NC
InChIInChI=1S/C9H14N2/c1-5-8(10-4)9(6-2)11-7-3/h5-7,10H,2-3H2,1,4H3/b8-5+,11-9+
InChIKeyNVMHVDFTGRHFQM-OSODFHRSSA-N
XLogP1.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.88
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 (2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine?
The IUPAC name of (2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine (CID 126552969) is (2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine.
What is the SMILES notation for (2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine?
The canonical SMILES for (2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine is C=C/N=C(C=C)/C(=C\C)NC.
What is the InChIKey of (2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine?
The InChIKey is NVMHVDFTGRHFQM-OSODFHRSSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-8(10-4)9(6-2)11-7-3/h5-7,10H,2-3H2,1,4H3/b8-5+,11-9+.
What are the key properties of (2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine?
(2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine has a molecular weight of 150.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine is sourced from PubChem (CID 126552969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).