(2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine

C20H38N2 — CID 156732364

IUPAC(2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine
SMILESC/C=N/C(=C\C=C(/C)C(C)(C)CC(C)(C)C(C)C)CNCC
InChIInChI=1S/C20H38N2/c1-10-21-14-18(22-11-2)13-12-17(5)20(8,9)15-19(6,7)16(3)4/h11-13,16,21H,10,14-15H2,1-9H3/b17-12+,18-13-,22-11+
InChIKeyZXNFNKAKYHWOAQ-ZPBLKYKNSA-N
MW306.54 g/mol
LogP5.62
Rot. Bonds9

About (2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine

(2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine (PubChem CID 156732364) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is (2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine
PubChem CID156732364
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name(2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine
SMILESC/C=N/C(=C\C=C(/C)C(C)(C)CC(C)(C)C(C)C)CNCC
InChIInChI=1S/C20H38N2/c1-10-21-14-18(22-11-2)13-12-17(5)20(8,9)15-19(6,7)16(3)4/h11-13,16,21H,10,14-15H2,1-9H3/b17-12+,18-13-,22-11+
InChIKeyZXNFNKAKYHWOAQ-ZPBLKYKNSA-N
XLogP5.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine with MolForge

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Related Compounds

3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane
CID 143343425
3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine
CID 143345133
(3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine
CID 155021843
N'-[(2E,4E,5Z)-8-tert-butyl-7,10,10-trimethyl-4-prop-2-enylideneundeca-2,5-dien-3-yl]-N-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine
CID 166803926
CID 174089148
CID 174089148
3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine
CID 143343426
3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine
CID 143345134

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine (CID 156732364) is (2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine is C/C=N/C(=C\C=C(/C)C(C)(C)CC(C)(C)C(C)C)CNCC.
What is the InChIKey of (2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine?
The InChIKey is ZXNFNKAKYHWOAQ-ZPBLKYKNSA-N. The full InChI is InChI=1S/C20H38N2/c1-10-21-14-18(22-11-2)13-12-17(5)20(8,9)15-19(6,7)16(3)4/h11-13,16,21H,10,14-15H2,1-9H3/b17-12+,18-13-,22-11+.
What are the key properties of (2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine?
(2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine has a molecular weight of 306.54 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine is sourced from PubChem (CID 156732364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).