(1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine

C16H27N3 — CID 143956454

IUPAC(1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine
SMILESC/C=C\C(=N/C)\C(CCC)=C(/N=C/C=C/C)N(C)C
InChIInChI=1S/C16H27N3/c1-7-10-13-18-16(19(5)6)14(11-8-2)15(17-4)12-9-3/h7,9-10,12-13H,8,11H2,1-6H3/b10-7+,12-9-,16-14+,17-15+,18-13+
InChIKeyUCDXEGWIOYVJCP-WOSBJOCCSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds7

About (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine

(1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine (PubChem CID 143956454) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine
PubChem CID143956454
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine
SMILESC/C=C\C(=N/C)\C(CCC)=C(/N=C/C=C/C)N(C)C
InChIInChI=1S/C16H27N3/c1-7-10-13-18-16(19(5)6)14(11-8-2)15(17-4)12-9-3/h7,9-10,12-13H,8,11H2,1-6H3/b10-7+,12-9-,16-14+,17-15+,18-13+
InChIKeyUCDXEGWIOYVJCP-WOSBJOCCSA-N
XLogP3.85
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine?
The IUPAC name of (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine (CID 143956454) is (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine.
What is the SMILES notation for (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine?
The canonical SMILES for (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine is C/C=C\C(=N/C)\C(CCC)=C(/N=C/C=C/C)N(C)C.
What is the InChIKey of (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine?
The InChIKey is UCDXEGWIOYVJCP-WOSBJOCCSA-N. The full InChI is InChI=1S/C16H27N3/c1-7-10-13-18-16(19(5)6)14(11-8-2)15(17-4)12-9-3/h7,9-10,12-13H,8,11H2,1-6H3/b10-7+,12-9-,16-14+,17-15+,18-13+.
What are the key properties of (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine?
(1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-1-[(E)-[(E)-but-2-enylidene]amino]-N,N-dimethyl-3-methylimino-2-propylhexa-1,4-dien-1-amine is sourced from PubChem (CID 143956454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).