(2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine

C18H31N — CID 118616229

IUPAC(2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine
SMILESC=C/C(=C\CCC(C)C=C)CN(C)C(C)/C=C\CC
InChIInChI=1S/C18H31N/c1-7-10-13-17(5)19(6)15-18(9-3)14-11-12-16(4)8-2/h8-10,13-14,16-17H,2-3,7,11-12,15H2,1,4-6H3/b13-10-,18-14+
InChIKeyKJVSJHDPHJIHRU-JBFGZICXSA-N
MW261.45 g/mol
LogP4.99
Rot. Bonds10

About (2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine

(2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine (PubChem CID 118616229) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is (2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine
PubChem CID118616229
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name(2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine
SMILESC=C/C(=C\CCC(C)C=C)CN(C)C(C)/C=C\CC
InChIInChI=1S/C18H31N/c1-7-10-13-17(5)19(6)15-18(9-3)14-11-12-16(4)8-2/h8-10,13-14,16-17H,2-3,7,11-12,15H2,1,4-6H3/b13-10-,18-14+
InChIKeyKJVSJHDPHJIHRU-JBFGZICXSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine?
The IUPAC name of (2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine (CID 118616229) is (2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine.
What is the SMILES notation for (2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine?
The canonical SMILES for (2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine is C=C/C(=C\CCC(C)C=C)CN(C)C(C)/C=C\CC.
What is the InChIKey of (2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine?
The InChIKey is KJVSJHDPHJIHRU-JBFGZICXSA-N. The full InChI is InChI=1S/C18H31N/c1-7-10-13-17(5)19(6)15-18(9-3)14-11-12-16(4)8-2/h8-10,13-14,16-17H,2-3,7,11-12,15H2,1,4-6H3/b13-10-,18-14+.
What are the key properties of (2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine?
(2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-N-[(Z)-hex-3-en-2-yl]-N,6-dimethylocta-2,7-dien-1-amine is sourced from PubChem (CID 118616229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).