(1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine

C10H18N2 — CID 90453926

IUPAC(1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine
SMILES[H]/N=C(\C=C/C)C(/C)=C/N(C)CC
InChIInChI=1S/C10H18N2/c1-5-7-10(11)9(3)8-12(4)6-2/h5,7-8,11H,6H2,1-4H3/b7-5-,9-8+,11-10+
InChIKeyJTHRPIXUICZJTH-HSGWOOLRSA-N
MW166.27 g/mol
LogP2.44
Rot. Bonds4

About (1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine

(1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine (PubChem CID 90453926) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine.

Molecular Properties

Compound Name(1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine
PubChem CID90453926
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine
SMILES[H]/N=C(\C=C/C)C(/C)=C/N(C)CC
InChIInChI=1S/C10H18N2/c1-5-7-10(11)9(3)8-12(4)6-2/h5,7-8,11H,6H2,1-4H3/b7-5-,9-8+,11-10+
InChIKeyJTHRPIXUICZJTH-HSGWOOLRSA-N
XLogP2.44
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.44
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 (1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine?
The IUPAC name of (1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine (CID 90453926) is (1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine.
What is the SMILES notation for (1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine?
The canonical SMILES for (1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine is [H]/N=C(\C=C/C)C(/C)=C/N(C)CC.
What is the InChIKey of (1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine?
The InChIKey is JTHRPIXUICZJTH-HSGWOOLRSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-7-10(11)9(3)8-12(4)6-2/h5,7-8,11H,6H2,1-4H3/b7-5-,9-8+,11-10+.
What are the key properties of (1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine?
(1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-N-ethyl-3-imino-N,2-dimethylhexa-1,4-dien-1-amine is sourced from PubChem (CID 90453926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).