(2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine

C19H31N — CID 6446212

IUPAC(2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine
SMILESC#CCN(C)C/C=C(\C)CC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C19H31N/c1-7-15-20(6)16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h1,10,12,14H,8-9,11,13,15-16H2,2-6H3/b18-12-,19-14+
InChIKeyLGXNHBTVFPAZSF-ZUQSFNSISA-N
MW273.46 g/mol
LogP4.97
Rot. Bonds9

About (2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine

(2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine (PubChem CID 6446212) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is (2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name(2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine
PubChem CID6446212
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name(2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine
SMILESC#CCN(C)C/C=C(\C)CC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C19H31N/c1-7-15-20(6)16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h1,10,12,14H,8-9,11,13,15-16H2,2-6H3/b18-12-,19-14+
InChIKeyLGXNHBTVFPAZSF-ZUQSFNSISA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-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 (2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine?
The IUPAC name of (2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine (CID 6446212) is (2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine.
What is the SMILES notation for (2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine?
The canonical SMILES for (2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine is C#CCN(C)C/C=C(\C)CC/C=C(/C)CCC=C(C)C.
What is the InChIKey of (2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine?
The InChIKey is LGXNHBTVFPAZSF-ZUQSFNSISA-N. The full InChI is InChI=1S/C19H31N/c1-7-15-20(6)16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h1,10,12,14H,8-9,11,13,15-16H2,2-6H3/b18-12-,19-14+.
What are the key properties of (2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine?
(2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 6446212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).