(2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine

C18H27N — CID 129237365

IUPAC(2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine
SMILESC=C/C=C\C(=C)C(C)N/C(C)=C(C)\C(/C=C\C)=C\C
InChIInChI=1S/C18H27N/c1-8-11-13-14(4)16(6)19-17(7)15(5)18(10-3)12-9-2/h8-13,16,19H,1,4H2,2-3,5-7H3/b12-9-,13-11-,17-15-,18-10+
InChIKeyGUPKPUTYJSVOFS-AZICBXHHSA-N
MW257.42 g/mol
LogP5.08
Rot. Bonds7

About (2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine

(2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine (PubChem CID 129237365) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine
PubChem CID129237365
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine
SMILESC=C/C=C\C(=C)C(C)N/C(C)=C(C)\C(/C=C\C)=C\C
InChIInChI=1S/C18H27N/c1-8-11-13-14(4)16(6)19-17(7)15(5)18(10-3)12-9-2/h8-13,16,19H,1,4H2,2-3,5-7H3/b12-9-,13-11-,17-15-,18-10+
InChIKeyGUPKPUTYJSVOFS-AZICBXHHSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
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 (2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine?
The IUPAC name of (2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine (CID 129237365) is (2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine.
What is the SMILES notation for (2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine?
The canonical SMILES for (2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine is C=C/C=C\C(=C)C(C)N/C(C)=C(C)\C(/C=C\C)=C\C.
What is the InChIKey of (2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine?
The InChIKey is GUPKPUTYJSVOFS-AZICBXHHSA-N. The full InChI is InChI=1S/C18H27N/c1-8-11-13-14(4)16(6)19-17(7)15(5)18(10-3)12-9-2/h8-13,16,19H,1,4H2,2-3,5-7H3/b12-9-,13-11-,17-15-,18-10+.
What are the key properties of (2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine?
(2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine has a molecular weight of 257.42 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,5Z)-4-ethylidene-3-methyl-N-[(4Z)-3-methylidenehepta-4,6-dien-2-yl]hepta-2,5-dien-2-amine is sourced from PubChem (CID 129237365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).