(2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine

C25H37N — CID 135294807

IUPAC(2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine
SMILESC=C(C)/C(C(=C)/C=C(/C)C/C(=C\C)C1=CCC(CCCC)C=C1)=C(/C)N
InChIInChI=1S/C25H37N/c1-8-10-11-22-12-14-24(15-13-22)23(9-2)17-19(5)16-20(6)25(18(3)4)21(7)26/h9,12,14-16,22H,3,6,8,10-11,13,17,26H2,1-2,4-5,7H3/b19-16-,23-9+,25-21+
InChIKeyIEYZSCLBVSNTFE-CMJQCOKESA-N
MW351.58 g/mol
LogP7.33
Rot. Bonds9

About (2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine

(2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine (PubChem CID 135294807) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is (2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine.

Molecular Properties

Compound Name(2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine
PubChem CID135294807
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Name(2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine
SMILESC=C(C)/C(C(=C)/C=C(/C)C/C(=C\C)C1=CCC(CCCC)C=C1)=C(/C)N
InChIInChI=1S/C25H37N/c1-8-10-11-22-12-14-24(15-13-22)23(9-2)17-19(5)16-20(6)25(18(3)4)21(7)26/h9,12,14-16,22H,3,6,8,10-11,13,17,26H2,1-2,4-5,7H3/b19-16-,23-9+,25-21+
InChIKeyIEYZSCLBVSNTFE-CMJQCOKESA-N
XLogP7.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine with MolForge

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Related Compounds

5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene
CID 123584531
1-[4-(2-aminoethyl)cyclohexa-1,5-dien-1-yl]ethanone;methanol
CID 142914676
methyl 4-hex-5-enylcyclohexa-1,5-diene-1-carboxylate
CID 23260133
4-butylcyclopent-2-en-1-ol
CID 13414982
4-[2-[(2-aminoacetyl)amino]ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 71135441
4-heptylcyclohexa-1,5-diene-1-carbonitrile
CID 90815913
(Z)-1-(4-ethylcyclohexa-1,5-dien-1-yl)-N-methyl-1-methylsulfanylprop-1-en-2-amine
CID 154693277
3-decylcyclobutene
CID 174421846
5-hexyl-2-(4-octylcyclohexyl)cyclohexa-1,3-diene
CID 139627527
[4-(3-phenylbuta-1,3-dien-2-yl)cyclohexa-2,4-dien-1-yl]methanamine
CID 89044109
N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine
CID 155119717

Frequently Asked Questions

What is the IUPAC name of (2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine?
The IUPAC name of (2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine (CID 135294807) is (2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine.
What is the SMILES notation for (2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine?
The canonical SMILES for (2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine is C=C(C)/C(C(=C)/C=C(/C)C/C(=C\C)C1=CCC(CCCC)C=C1)=C(/C)N.
What is the InChIKey of (2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine?
The InChIKey is IEYZSCLBVSNTFE-CMJQCOKESA-N. The full InChI is InChI=1S/C25H37N/c1-8-10-11-22-12-14-24(15-13-22)23(9-2)17-19(5)16-20(6)25(18(3)4)21(7)26/h9,12,14-16,22H,3,6,8,10-11,13,17,26H2,1-2,4-5,7H3/b19-16-,23-9+,25-21+.
What are the key properties of (2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine?
(2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine has a molecular weight of 351.58 g/mol, XLogP of 7.33, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z,8E)-8-(4-butylcyclohexa-1,5-dien-1-yl)-6-methyl-4-methylidene-3-prop-1-en-2-yldeca-2,5,8-trien-2-amine is sourced from PubChem (CID 135294807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).