(Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine

C18H34N2 — CID 89153900

IUPAC(Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine
SMILESC=C/C=C(\C=C/CN)C(C)NC(C)CC(C)(CC)CC
InChIInChI=1S/C18H34N2/c1-7-11-17(12-10-13-19)16(5)20-15(4)14-18(6,8-2)9-3/h7,10-12,15-16,20H,1,8-9,13-14,19H2,2-6H3/b12-10-,17-11+
InChIKeyAFXKJUVQSKHJRA-KCILXYFRSA-N
MW278.48 g/mol
LogP4.20
Rot. Bonds10

About (Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine

(Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine (PubChem CID 89153900) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is (Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine.

Molecular Properties

Compound Name(Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine
PubChem CID89153900
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name(Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine
SMILESC=C/C=C(\C=C/CN)C(C)NC(C)CC(C)(CC)CC
InChIInChI=1S/C18H34N2/c1-7-11-17(12-10-13-19)16(5)20-15(4)14-18(6,8-2)9-3/h7,10-12,15-16,20H,1,8-9,13-14,19H2,2-6H3/b12-10-,17-11+
InChIKeyAFXKJUVQSKHJRA-KCILXYFRSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine?
The IUPAC name of (Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine (CID 89153900) is (Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine.
What is the SMILES notation for (Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine?
The canonical SMILES for (Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine is C=C/C=C(\C=C/CN)C(C)NC(C)CC(C)(CC)CC.
What is the InChIKey of (Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine?
The InChIKey is AFXKJUVQSKHJRA-KCILXYFRSA-N. The full InChI is InChI=1S/C18H34N2/c1-7-11-17(12-10-13-19)16(5)20-15(4)14-18(6,8-2)9-3/h7,10-12,15-16,20H,1,8-9,13-14,19H2,2-6H3/b12-10-,17-11+.
What are the key properties of (Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine?
(Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine has a molecular weight of 278.48 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-5-N-(4-ethyl-4-methylhexan-2-yl)-4-prop-2-enylidenehex-2-ene-1,5-diamine is sourced from PubChem (CID 89153900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).