N,5,6-trimethylhept-2-en-1-imine

C10H19N — CID 123426551

IUPACN,5,6-trimethylhept-2-en-1-imine
SMILESC/N=C/C=CCC(C)C(C)C
InChIInChI=1S/C10H19N/c1-9(2)10(3)7-5-6-8-11-4/h5-6,8-10H,7H2,1-4H3/b6-5?,11-8+
InChIKeyXFRHJNGMBJWACR-SHZBLTAYSA-N
MW153.27 g/mol
LogP2.93
Rot. Bonds4

About N,5,6-trimethylhept-2-en-1-imine

N,5,6-trimethylhept-2-en-1-imine (PubChem CID 123426551) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N,5,6-trimethylhept-2-en-1-imine.

Molecular Properties

Compound NameN,5,6-trimethylhept-2-en-1-imine
PubChem CID123426551
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN,5,6-trimethylhept-2-en-1-imine
SMILESC/N=C/C=CCC(C)C(C)C
InChIInChI=1S/C10H19N/c1-9(2)10(3)7-5-6-8-11-4/h5-6,8-10H,7H2,1-4H3/b6-5?,11-8+
InChIKeyXFRHJNGMBJWACR-SHZBLTAYSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
CID 129037792
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519
2,3-Di(propan-2-yl)-2,3-dihydropyridine
CID 59427901
(Z)-3-cyclopentyl-N-methylprop-2-en-1-imine
CID 59910597
(Z)-3-(2,4-dimethylcyclobutyl)-N,2-dimethylprop-2-en-1-imine
CID 68249452
3,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 68344127
2,4-diethyl-3-methyl-3,4-dihydro-2H-azepine
CID 68391441
3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
CID 69923477
(4E,8E)-11-methyl-2-pent-3-en-2-yl-1-azacyclododeca-4,8,12-triene
CID 70505819
2-(3-Methylbutan-2-yl)-1-azacyclododeca-4,8,12-triene
CID 70531114

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethylhept-2-en-1-imine?
The IUPAC name of N,5,6-trimethylhept-2-en-1-imine (CID 123426551) is N,5,6-trimethylhept-2-en-1-imine.
What is the SMILES notation for N,5,6-trimethylhept-2-en-1-imine?
The canonical SMILES for N,5,6-trimethylhept-2-en-1-imine is C/N=C/C=CCC(C)C(C)C.
What is the InChIKey of N,5,6-trimethylhept-2-en-1-imine?
The InChIKey is XFRHJNGMBJWACR-SHZBLTAYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)10(3)7-5-6-8-11-4/h5-6,8-10H,7H2,1-4H3/b6-5?,11-8+.
What are the key properties of N,5,6-trimethylhept-2-en-1-imine?
N,5,6-trimethylhept-2-en-1-imine has a molecular weight of 153.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethylhept-2-en-1-imine is sourced from PubChem (CID 123426551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).