ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine

C11H19N — CID 143665734

IUPACethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C=C(/NC=C)C(=C)C.CC
InChIInChI=1S/C9H13N.C2H6/c1-5-7-9(8(3)4)10-6-2;1-2/h5-7,10H,1-3H2,4H3;1-2H3/b9-7+;
InChIKeyLABVBNOLSXPUQL-BXTVWIJMSA-N
MW165.28 g/mol
LogP3.39
Rot. Bonds4

About ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine

ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine (PubChem CID 143665734) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Nameethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine
PubChem CID143665734
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Nameethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C=C(/NC=C)C(=C)C.CC
InChIInChI=1S/C9H13N.C2H6/c1-5-7-9(8(3)4)10-6-2;1-2/h5-7,10H,1-3H2,4H3;1-2H3/b9-7+;
InChIKeyLABVBNOLSXPUQL-BXTVWIJMSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-N,4-bis(ethenyl)hepta-2,4,6-trien-3-amine
CID 138555327
ethane;(3E)-2-methylhexa-1,3,5-trien-3-ol
CID 144511153
(3E)-3-chloro-2-methylhexa-1,3,5-triene;ethane
CID 143207837
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
CID 143930163
2,6-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline
CID 144989902
ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene
CID 144917186
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154
buta-1,3-diene;ethane;N-methylmethanamine;2-methylprop-1-ene
CID 145396267
(3E)-3-iodo-2-methylhexa-1,3,5-triene
CID 122592605
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
CID 134214435
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine?
The IUPAC name of ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine (CID 143665734) is ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine?
The canonical SMILES for ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine is C=C/C=C(/NC=C)C(=C)C.CC.
What is the InChIKey of ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine?
The InChIKey is LABVBNOLSXPUQL-BXTVWIJMSA-N. The full InChI is InChI=1S/C9H13N.C2H6/c1-5-7-9(8(3)4)10-6-2;1-2/h5-7,10H,1-3H2,4H3;1-2H3/b9-7+;.
What are the key properties of ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine?
ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine has a molecular weight of 165.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 143665734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).