(1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine

C13H19N — CID 89167719

IUPAC(1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine
SMILESC=C/C(=C/C=C\NC)C(=C)C=C(C)C
InChIInChI=1S/C13H19N/c1-6-13(8-7-9-14-5)12(4)10-11(2)3/h6-10,14H,1,4H2,2-3,5H3/b9-7-,13-8-
InChIKeyGJSYLCSUBJZAKX-XFSHKZRWSA-N
MW189.30 g/mol
LogP3.35
Rot. Bonds5

About (1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine

(1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine (PubChem CID 89167719) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine
PubChem CID89167719
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine
SMILESC=C/C(=C/C=C\NC)C(=C)C=C(C)C
InChIInChI=1S/C13H19N/c1-6-13(8-7-9-14-5)12(4)10-11(2)3/h6-10,14H,1,4H2,2-3,5H3/b9-7-,13-8-
InChIKeyGJSYLCSUBJZAKX-XFSHKZRWSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine?
The IUPAC name of (1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine (CID 89167719) is (1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine?
The canonical SMILES for (1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine is C=C/C(=C/C=C\NC)C(=C)C=C(C)C.
What is the InChIKey of (1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine?
The InChIKey is GJSYLCSUBJZAKX-XFSHKZRWSA-N. The full InChI is InChI=1S/C13H19N/c1-6-13(8-7-9-14-5)12(4)10-11(2)3/h6-10,14H,1,4H2,2-3,5H3/b9-7-,13-8-.
What are the key properties of (1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine?
(1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-4-ethenyl-N,7-dimethyl-5-methylideneocta-1,3,6-trien-1-amine is sourced from PubChem (CID 89167719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).