N-methyl-2-(2-methylbutyl)hex-2-en-1-imine

C12H23N — CID 91384576

IUPACN-methyl-2-(2-methylbutyl)hex-2-en-1-imine
SMILESCCCC=C(/C=N/C)CC(C)CC
InChIInChI=1S/C12H23N/c1-5-7-8-12(10-13-4)9-11(3)6-2/h8,10-11H,5-7,9H2,1-4H3/b12-8?,13-10+
InChIKeyYTIKLNHUZZFJGL-OVHXASEHSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds6

About N-methyl-2-(2-methylbutyl)hex-2-en-1-imine

N-methyl-2-(2-methylbutyl)hex-2-en-1-imine (PubChem CID 91384576) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-methyl-2-(2-methylbutyl)hex-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-2-(2-methylbutyl)hex-2-en-1-imine
PubChem CID91384576
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-methyl-2-(2-methylbutyl)hex-2-en-1-imine
SMILESCCCC=C(/C=N/C)CC(C)CC
InChIInChI=1S/C12H23N/c1-5-7-8-12(10-13-4)9-11(3)6-2/h8,10-11H,5-7,9H2,1-4H3/b12-8?,13-10+
InChIKeyYTIKLNHUZZFJGL-OVHXASEHSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
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

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(Z)-N-ethyl-2-(2-fluoropropan-2-yl)-3-(5-methylcyclohexa-2,4-dien-1-yl)but-2-en-1-imine
CID 156099727
(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine
CID 166919456
(3S,7E)-8-(fluoromethyl)-3-methyl-3,4,5,6-tetrahydro-2H-azonine
CID 173998206
(6S)-8-diazo-2,6-dimethyloct-2-ene
CID 72722697
2-Isopropyl-2-ethyl-4-methylpyrrole
CID 129786814
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
3-Ethyl-5-(3-fluorobutyl)-2,3-dihydropyridine
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5,10-Undecadien-3-amine, 2-methyl-N-(2-methyl-2-propenylidene)-
CID 5371390

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylbutyl)hex-2-en-1-imine?
The IUPAC name of N-methyl-2-(2-methylbutyl)hex-2-en-1-imine (CID 91384576) is N-methyl-2-(2-methylbutyl)hex-2-en-1-imine.
What is the SMILES notation for N-methyl-2-(2-methylbutyl)hex-2-en-1-imine?
The canonical SMILES for N-methyl-2-(2-methylbutyl)hex-2-en-1-imine is CCCC=C(/C=N/C)CC(C)CC.
What is the InChIKey of N-methyl-2-(2-methylbutyl)hex-2-en-1-imine?
The InChIKey is YTIKLNHUZZFJGL-OVHXASEHSA-N. The full InChI is InChI=1S/C12H23N/c1-5-7-8-12(10-13-4)9-11(3)6-2/h8,10-11H,5-7,9H2,1-4H3/b12-8?,13-10+.
What are the key properties of N-methyl-2-(2-methylbutyl)hex-2-en-1-imine?
N-methyl-2-(2-methylbutyl)hex-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylbutyl)hex-2-en-1-imine is sourced from PubChem (CID 91384576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).