N-butan-2-yl-2,3-dimethylhex-2-en-1-imine

C12H23N — CID 123274306

IUPACN-butan-2-yl-2,3-dimethylhex-2-en-1-imine
SMILESCCCC(C)=C(C)/C=N/C(C)CC
InChIInChI=1S/C12H23N/c1-6-8-10(3)11(4)9-13-12(5)7-2/h9,12H,6-8H2,1-5H3/b11-10?,13-9+
InChIKeyKARQZCORTJZPOI-QRWATNNNSA-N
MW181.32 g/mol
LogP3.99
Rot. Bonds5

About N-butan-2-yl-2,3-dimethylhex-2-en-1-imine

N-butan-2-yl-2,3-dimethylhex-2-en-1-imine (PubChem CID 123274306) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-butan-2-yl-2,3-dimethylhex-2-en-1-imine.

Molecular Properties

Compound NameN-butan-2-yl-2,3-dimethylhex-2-en-1-imine
PubChem CID123274306
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-butan-2-yl-2,3-dimethylhex-2-en-1-imine
SMILESCCCC(C)=C(C)/C=N/C(C)CC
InChIInChI=1S/C12H23N/c1-6-8-10(3)11(4)9-13-12(5)7-2/h9,12H,6-8H2,1-5H3/b11-10?,13-9+
InChIKeyKARQZCORTJZPOI-QRWATNNNSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.99
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

N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
N-tert-butyl-2-cyclohexylidenepropan-1-imine
CID 134889888
2,3,4,5-Tetramethyl-2,3-dihydropyridine
CID 54196834
N-butan-2-yl-2-methylhex-2-en-1-imine
CID 85373398
N-butan-2-yl-2-methylpent-2-en-1-imine
CID 85381401
2-ethyl-N-methylhex-2-en-1-imine
CID 86125258
(Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine
CID 87978024
5-Ethyl-2-methyl-2,3-dihydropyridine
CID 89142430
5-Methyl-2-prop-2-enyl-2,3-dihydropyridine
CID 89419790
(Z)-N,2,3-trimethylpent-2-en-1-imine
CID 91126326
(Z)-N,2-dimethylhept-2-en-1-imine
CID 91465477
2,3-dimethyl-5-methylidene-4H-pyridine;ethane
CID 91581302

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,3-dimethylhex-2-en-1-imine?
The IUPAC name of N-butan-2-yl-2,3-dimethylhex-2-en-1-imine (CID 123274306) is N-butan-2-yl-2,3-dimethylhex-2-en-1-imine.
What is the SMILES notation for N-butan-2-yl-2,3-dimethylhex-2-en-1-imine?
The canonical SMILES for N-butan-2-yl-2,3-dimethylhex-2-en-1-imine is CCCC(C)=C(C)/C=N/C(C)CC.
What is the InChIKey of N-butan-2-yl-2,3-dimethylhex-2-en-1-imine?
The InChIKey is KARQZCORTJZPOI-QRWATNNNSA-N. The full InChI is InChI=1S/C12H23N/c1-6-8-10(3)11(4)9-13-12(5)7-2/h9,12H,6-8H2,1-5H3/b11-10?,13-9+.
What are the key properties of N-butan-2-yl-2,3-dimethylhex-2-en-1-imine?
N-butan-2-yl-2,3-dimethylhex-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,3-dimethylhex-2-en-1-imine is sourced from PubChem (CID 123274306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).