N,5-dimethylhex-4-en-1-imine

C8H15N — CID 123748313

IUPACN,5-dimethylhex-4-en-1-imine
SMILESC/N=C/CCC=C(C)C
InChIInChI=1S/C8H15N/c1-8(2)6-4-5-7-9-3/h6-7H,4-5H2,1-3H3/b9-7+
InChIKeyODILPMJLZQKKKH-VQHVLOKHSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds3

About N,5-dimethylhex-4-en-1-imine

N,5-dimethylhex-4-en-1-imine (PubChem CID 123748313) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N,5-dimethylhex-4-en-1-imine.

Molecular Properties

Compound NameN,5-dimethylhex-4-en-1-imine
PubChem CID123748313
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN,5-dimethylhex-4-en-1-imine
SMILESC/N=C/CCC=C(C)C
InChIInChI=1S/C8H15N/c1-8(2)6-4-5-7-9-3/h6-7H,4-5H2,1-3H3/b9-7+
InChIKeyODILPMJLZQKKKH-VQHVLOKHSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(E)-2-fluoro-5-methylhept-4-en-1-imine
CID 89953267
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
(Z)-2-fluoro-N,4-dimethylhex-4-en-1-imine
CID 129299980
(E)-N-methyl-2-(trifluoromethyl)hex-2-en-1-imine
CID 142438396
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
Squalene N-methylimine
CID 6450082
(E)-N,2-dimethylpent-2-en-1-imine
CID 12475952
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843

Frequently Asked Questions

What is the IUPAC name of N,5-dimethylhex-4-en-1-imine?
The IUPAC name of N,5-dimethylhex-4-en-1-imine (CID 123748313) is N,5-dimethylhex-4-en-1-imine.
What is the SMILES notation for N,5-dimethylhex-4-en-1-imine?
The canonical SMILES for N,5-dimethylhex-4-en-1-imine is C/N=C/CCC=C(C)C.
What is the InChIKey of N,5-dimethylhex-4-en-1-imine?
The InChIKey is ODILPMJLZQKKKH-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2)6-4-5-7-9-3/h6-7H,4-5H2,1-3H3/b9-7+.
What are the key properties of N,5-dimethylhex-4-en-1-imine?
N,5-dimethylhex-4-en-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethylhex-4-en-1-imine is sourced from PubChem (CID 123748313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).