(3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine

C13H21N — CID 126539449

IUPAC(3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine
SMILESC=CN(C)/C(=C/CC)CC=C/C=C\C
InChIInChI=1S/C13H21N/c1-5-8-9-10-12-13(11-6-2)14(4)7-3/h5,7-11H,3,6,12H2,1-2,4H3/b8-5-,10-9?,13-11+
InChIKeyZXTCMVYGNDGBFJ-HXVJMDCFSA-N
MW191.32 g/mol
LogP3.88
Rot. Bonds6

About (3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine

(3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine (PubChem CID 126539449) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine.

Molecular Properties

Compound Name(3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine
PubChem CID126539449
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine
SMILESC=CN(C)/C(=C/CC)CC=C/C=C\C
InChIInChI=1S/C13H21N/c1-5-8-9-10-12-13(11-6-2)14(4)7-3/h5,7-11H,3,6,12H2,1-2,4H3/b8-5-,10-9?,13-11+
InChIKeyZXTCMVYGNDGBFJ-HXVJMDCFSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
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 (3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine?
The IUPAC name of (3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine (CID 126539449) is (3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine.
What is the SMILES notation for (3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine?
The canonical SMILES for (3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine is C=CN(C)/C(=C/CC)CC=C/C=C\C.
What is the InChIKey of (3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine?
The InChIKey is ZXTCMVYGNDGBFJ-HXVJMDCFSA-N. The full InChI is InChI=1S/C13H21N/c1-5-8-9-10-12-13(11-6-2)14(4)7-3/h5,7-11H,3,6,12H2,1-2,4H3/b8-5-,10-9?,13-11+.
What are the key properties of (3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine?
(3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine has a molecular weight of 191.32 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,8Z)-N-ethenyl-N-methyldeca-3,6,8-trien-4-amine is sourced from PubChem (CID 126539449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).