(2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine

C18H29N — CID 155001648

IUPAC(2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine
SMILESC=CC(=C)/C=C\C(C)=C(/C)N(C=C)C(CC)CCC
InChIInChI=1S/C18H29N/c1-8-12-18(10-3)19(11-4)17(7)16(6)14-13-15(5)9-2/h9,11,13-14,18H,2,4-5,8,10,12H2,1,3,6-7H3/b14-13-,17-16+
InChIKeyARDRZFSEPANJIU-XYRKOZFRSA-N
MW259.44 g/mol
LogP5.60
Rot. Bonds9

About (2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine

(2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine (PubChem CID 155001648) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine
PubChem CID155001648
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine
SMILESC=CC(=C)/C=C\C(C)=C(/C)N(C=C)C(CC)CCC
InChIInChI=1S/C18H29N/c1-8-12-18(10-3)19(11-4)17(7)16(6)14-13-15(5)9-2/h9,11,13-14,18H,2,4-5,8,10,12H2,1,3,6-7H3/b14-13-,17-16+
InChIKeyARDRZFSEPANJIU-XYRKOZFRSA-N
XLogP5.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine with MolForge

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Related Compounds

(2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine
CID 170706540
N-[1-[acetyl(ethenyl)amino]propyl]-N-ethenylacetamide
CID 56990592
(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
CID 58174936
ethanethiol;ethene;formaldehyde;N-hexan-3-yl-N-methylacetamide
CID 143678118
N-hexan-3-yl-N-oxidohydroxylamine
CID 163692081
N-ethenyl-N-ethyl-3-methylpent-1-en-2-amine
CID 137427833
(1Z)-N-(2-methylbutyl)-3-methylidenepenta-1,4-dien-1-amine
CID 166854206
di(hexan-3-yl)carbamic acid
CID 88787380
3-methylhexane;2-methylprop-1-ene
CID 165405684
2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
CID 83043424
ethane;5-methyloct-1-en-4-ol
CID 142059047
N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide
CID 144987889

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine?
The IUPAC name of (2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine (CID 155001648) is (2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine.
What is the SMILES notation for (2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine?
The canonical SMILES for (2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine is C=CC(=C)/C=C\C(C)=C(/C)N(C=C)C(CC)CCC.
What is the InChIKey of (2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine?
The InChIKey is ARDRZFSEPANJIU-XYRKOZFRSA-N. The full InChI is InChI=1S/C18H29N/c1-8-12-18(10-3)19(11-4)17(7)16(6)14-13-15(5)9-2/h9,11,13-14,18H,2,4-5,8,10,12H2,1,3,6-7H3/b14-13-,17-16+.
What are the key properties of (2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine?
(2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine has a molecular weight of 259.44 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethenyl-N-hexan-3-yl-3-methyl-6-methylideneocta-2,4,7-trien-2-amine is sourced from PubChem (CID 155001648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).