2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine

C14H25N — CID 143096935

IUPAC2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine
SMILESC=C(C)C(C)/C=N/C(CCCC)=C(C)C
InChIInChI=1S/C14H25N/c1-7-8-9-14(12(4)5)15-10-13(6)11(2)3/h10,13H,2,7-9H2,1,3-6H3/b15-10+
InChIKeySHUNVVCJVFEMBA-XNTDXEJSSA-N
MW207.36 g/mol
LogP4.75
Rot. Bonds6

About 2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine

2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine (PubChem CID 143096935) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine
PubChem CID143096935
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine
SMILESC=C(C)C(C)/C=N/C(CCCC)=C(C)C
InChIInChI=1S/C14H25N/c1-7-8-9-14(12(4)5)15-10-13(6)11(2)3/h10,13H,2,7-9H2,1,3-6H3/b15-10+
InChIKeySHUNVVCJVFEMBA-XNTDXEJSSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-Methyl-6-octyl-3,4-dihydropyridine
CID 71148391
2-methyl-N-(5-methylcyclopenten-1-yl)propan-1-imine
CID 89211315
N-(2,4-dimethylcyclobuten-1-yl)ethanimine
CID 89263311
2-N-(2,5-dimethyl-4-methylidenehex-2-en-3-yl)-1-N-ethylbutane-1,2-diimine
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CID 90823234

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine?
The IUPAC name of 2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine (CID 143096935) is 2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine.
What is the SMILES notation for 2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine?
The canonical SMILES for 2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine is C=C(C)C(C)/C=N/C(CCCC)=C(C)C.
What is the InChIKey of 2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine?
The InChIKey is SHUNVVCJVFEMBA-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H25N/c1-7-8-9-14(12(4)5)15-10-13(6)11(2)3/h10,13H,2,7-9H2,1,3-6H3/b15-10+.
What are the key properties of 2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine?
2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methylhept-2-en-3-yl)but-3-en-1-imine is sourced from PubChem (CID 143096935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).