(7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine

C20H35N — CID 170189337

IUPAC(7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine
SMILESC/C=C\C=C/C/C(=C\C=C/C)CCCC(C)CCN(C)C
InChIInChI=1S/C20H35N/c1-6-8-10-11-15-20(14-9-7-2)16-12-13-19(3)17-18-21(4)5/h6-11,14,19H,12-13,15-18H2,1-5H3/b8-6-,9-7-,11-10-,20-14+
InChIKeyGYSDQHHJJJNDGD-JXFUDTQRSA-N
MW289.51 g/mol
LogP5.77
Rot. Bonds11

About (7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine

(7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine (PubChem CID 170189337) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine.

Molecular Properties

Compound Name(7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine
PubChem CID170189337
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine
SMILESC/C=C\C=C/C/C(=C\C=C/C)CCCC(C)CCN(C)C
InChIInChI=1S/C20H35N/c1-6-8-10-11-15-20(14-9-7-2)16-12-13-19(3)17-18-21(4)5/h6-11,14,19H,12-13,15-18H2,1-5H3/b8-6-,9-7-,11-10-,20-14+
InChIKeyGYSDQHHJJJNDGD-JXFUDTQRSA-N
XLogP5.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine with MolForge

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Related Compounds

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1,2-dilinoleyl-N,N-dimethyl-3-aminopropane
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3,7-dimethyl-N,N-dipropyloct-6-en-1-amine
CID 13945554
(6E,8E)-6-ethenyl-N,5-diethyl-9-fluoro-N-methyldeca-6,8-dien-1-amine
CID 134365586
(5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine
CID 134365833
1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 155347472
(4S)-5-ethyl-1-[3-(1-fluoroethenyl)cyclohepta-1,2,4,6-tetraen-1-yl]-4-(2-fluoroethyl)-2-methyl-N,N-dipropylnon-8-en-4-amine
CID 174279458
3-Methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene
CID 10608234
2,3-Dihydro-2-azasqualene
CID 129725423
N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
CID 135070130
1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
CID 137286778

Frequently Asked Questions

What is the IUPAC name of (7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine?
The IUPAC name of (7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine (CID 170189337) is (7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine.
What is the SMILES notation for (7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine?
The canonical SMILES for (7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine is C/C=C\C=C/C/C(=C\C=C/C)CCCC(C)CCN(C)C.
What is the InChIKey of (7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine?
The InChIKey is GYSDQHHJJJNDGD-JXFUDTQRSA-N. The full InChI is InChI=1S/C20H35N/c1-6-8-10-11-15-20(14-9-7-2)16-12-13-19(3)17-18-21(4)5/h6-11,14,19H,12-13,15-18H2,1-5H3/b8-6-,9-7-,11-10-,20-14+.
What are the key properties of (7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine?
(7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.77, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z,11Z)-7-[(Z)-but-2-enylidene]-N,N,3-trimethyltrideca-9,11-dien-1-amine is sourced from PubChem (CID 170189337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).