hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium

C18H36N+ — CID 123288679

IUPAChexyl-(6-methyloct-4-en-2-ylidene)-propylazanium
SMILESCCCCCC/[N+](CCC)=C(\C)CC=CC(C)CC
InChIInChI=1S/C18H36N/c1-6-9-10-11-16-19(15-7-2)18(5)14-12-13-17(4)8-3/h12-13,17H,6-11,14-16H2,1-5H3/q+1/b13-12?,19-18+
InChIKeyZCSPLHLARQKZQH-CKVUXYBWSA-N
MW266.49 g/mol
LogP5.44
Rot. Bonds11

About hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium

hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium (PubChem CID 123288679) has the molecular formula C18H36N+ and a molecular weight of 266.49 g/mol. Its IUPAC name is hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium.

Molecular Properties

Compound Namehexyl-(6-methyloct-4-en-2-ylidene)-propylazanium
PubChem CID123288679
Molecular FormulaC18H36N+
Molecular Weight266.49 g/mol
Exact Mass266.28
IUPAC Namehexyl-(6-methyloct-4-en-2-ylidene)-propylazanium
SMILESCCCCCC/[N+](CCC)=C(\C)CC=CC(C)CC
InChIInChI=1S/C18H36N/c1-6-9-10-11-16-19(15-7-2)18(5)14-12-13-17(4)8-3/h12-13,17H,6-11,14-16H2,1-5H3/q+1/b13-12?,19-18+
InChIKeyZCSPLHLARQKZQH-CKVUXYBWSA-N
XLogP5.44
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-octadec-9-enylhexan-2-imine
CID 54431641
Butan-2-ylidene-(3-but-1-enylnona-1,6-dien-2-yl)-methylazanium
CID 123381207
(3-Ethyl-3,4,5-trimethylhept-5-en-2-ylidene)-hexyl-methylazanium
CID 123423893
N-heptyl-N-methyl-2-methyliminonona-5,8-dien-1-amine
CID 123858189
(4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine
CID 123860569
2-ethyl-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]hexan-1-amine
CID 142102799
(Z)-N-methyl-3-methylimino-N-(3-methylpentyl)hex-4-en-1-amine
CID 144600522

Frequently Asked Questions

What is the IUPAC name of hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium?
The IUPAC name of hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium (CID 123288679) is hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium.
What is the SMILES notation for hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium?
The canonical SMILES for hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium is CCCCCC/[N+](CCC)=C(\C)CC=CC(C)CC.
What is the InChIKey of hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium?
The InChIKey is ZCSPLHLARQKZQH-CKVUXYBWSA-N. The full InChI is InChI=1S/C18H36N/c1-6-9-10-11-16-19(15-7-2)18(5)14-12-13-17(4)8-3/h12-13,17H,6-11,14-16H2,1-5H3/q+1/b13-12?,19-18+.
What are the key properties of hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium?
hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium has a molecular weight of 266.49 g/mol, XLogP of 5.44, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-(6-methyloct-4-en-2-ylidene)-propylazanium is sourced from PubChem (CID 123288679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).