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

C8H15N — CID 123362950

IUPACN,5-dimethylhex-5-en-1-imine
SMILESC=C(C)CCC/C=N/C
InChIInChI=1S/C8H15N/c1-8(2)6-4-5-7-9-3/h7H,1,4-6H2,2-3H3/b9-7+
InChIKeyGPIGFJUGNLSHFF-VQHVLOKHSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds4

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

N,5-dimethylhex-5-en-1-imine (PubChem CID 123362950) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N,5-dimethylhex-5-en-1-imine.

Molecular Properties

Compound NameN,5-dimethylhex-5-en-1-imine
PubChem CID123362950
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN,5-dimethylhex-5-en-1-imine
SMILESC=C(C)CCC/C=N/C
InChIInChI=1S/C8H15N/c1-8(2)6-4-5-7-9-3/h7H,1,4-6H2,2-3H3/b9-7+
InChIKeyGPIGFJUGNLSHFF-VQHVLOKHSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

5-Ethyl-3,4-dihydropyridine
CID 14979265
N-(cyclohexylidenemethyl)propan-1-imine
CID 12942395
5-Methyl-3,4-dihydropyridine
CID 14979264
5-Propan-2-yl-3,4-dihydropyridine
CID 14979266
N-propylidene-(2-ethylhexen-1-yl-amine)
CID 53884118
5-Butyl-3,4-dihydropyridine
CID 56992845
5-Propyl-3,4-dihydropyridine
CID 57125642
4-(2-methylpropyl)-3H-pyrrole
CID 58786990
6-methyl-4,5-dihydro-3H-azepine
CID 68009589
N-hexyl-3-methylidenepent-4-en-1-imine
CID 87132172
N-methyl-2-methylidenepentan-1-imine
CID 88568548
N-ethyl-2-methylidenepentan-1-imine
CID 88976095

Frequently Asked Questions

What is the IUPAC name of N,5-dimethylhex-5-en-1-imine?
The IUPAC name of N,5-dimethylhex-5-en-1-imine (CID 123362950) is N,5-dimethylhex-5-en-1-imine.
What is the SMILES notation for N,5-dimethylhex-5-en-1-imine?
The canonical SMILES for N,5-dimethylhex-5-en-1-imine is C=C(C)CCC/C=N/C.
What is the InChIKey of N,5-dimethylhex-5-en-1-imine?
The InChIKey is GPIGFJUGNLSHFF-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2)6-4-5-7-9-3/h7H,1,4-6H2,2-3H3/b9-7+.
What are the key properties of N,5-dimethylhex-5-en-1-imine?
N,5-dimethylhex-5-en-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethylhex-5-en-1-imine is sourced from PubChem (CID 123362950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).