5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine

C24H39N3 — CID 91069167

IUPAC5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine
SMILES[H]/N=C/C/C(CC(C)C(=C=CC(C)N(C)C)C(C)C=C)=N\CC=CCCC=C
InChIInChI=1S/C24H39N3/c1-8-10-11-12-13-18-26-23(16-17-25)19-21(4)24(20(3)9-2)15-14-22(5)27(6)7/h8-9,12-14,17,20-22,25H,1-2,10-11,16,18-19H2,3-7H3/b13-12?,25-17+,26-23+
InChIKeyMWXFXLFYZDGOIE-OCJYAUMXSA-N
MW369.60 g/mol
LogP5.87
Rot. Bonds14

About 5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine

5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine (PubChem CID 91069167) has the molecular formula C24H39N3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine.

Molecular Properties

Compound Name5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine
PubChem CID91069167
Molecular FormulaC24H39N3
Molecular Weight369.60 g/mol
Exact Mass369.31
IUPAC Name5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine
SMILES[H]/N=C/C/C(CC(C)C(=C=CC(C)N(C)C)C(C)C=C)=N\CC=CCCC=C
InChIInChI=1S/C24H39N3/c1-8-10-11-12-13-18-26-23(16-17-25)19-21(4)24(20(3)9-2)15-14-22(5)27(6)7/h8-9,12-14,17,20-22,25H,1-2,10-11,16,18-19H2,3-7H3/b13-12?,25-17+,26-23+
InChIKeyMWXFXLFYZDGOIE-OCJYAUMXSA-N
XLogP5.87
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.60
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium
CID 123658981
4-[2-(3,4-Dihydropyrrol-1-ium-3-yl)ethyl]hept-3-en-2-amine
CID 123729644
[1-(2,3,4,5,6,9-Hexahydroazecin-4-yl)-5-methylhex-5-en-2-ylidene]-methyl-[3-methyl-4-(methylamino)but-2-enyl]azanium
CID 123849526
[7-(4-Ethylidenecyclohexyl)-5-(pentylideneamino)heptan-3-ylidene]azanium
CID 178080485
7-(4-ethylidenecyclohexyl)-5-N-pentylideneheptane-3,5-diimine
CID 178080486

Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine?
The IUPAC name of 5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine (CID 91069167) is 5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine.
What is the SMILES notation for 5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine?
The canonical SMILES for 5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine is [H]/N=C/C/C(CC(C)C(=C=CC(C)N(C)C)C(C)C=C)=N\CC=CCCC=C.
What is the InChIKey of 5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine?
The InChIKey is MWXFXLFYZDGOIE-OCJYAUMXSA-N. The full InChI is InChI=1S/C24H39N3/c1-8-10-11-12-13-18-26-23(16-17-25)19-21(4)24(20(3)9-2)15-14-22(5)27(6)7/h8-9,12-14,17,20-22,25H,1-2,10-11,16,18-19H2,3-7H3/b13-12?,25-17+,26-23+.
What are the key properties of 5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine?
5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine has a molecular weight of 369.60 g/mol, XLogP of 5.87, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine is sourced from PubChem (CID 91069167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).