4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine

C15H27N — CID 123834599

IUPAC4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine
SMILES[H]/N=C(\C)C(C)=C(C(C)CC)C1CC(C)C1C
InChIInChI=1S/C15H27N/c1-7-9(2)15(12(5)13(6)16)14-8-10(3)11(14)4/h9-11,14,16H,7-8H2,1-6H3/b15-12?,16-13+
InChIKeyBLTMCJWOVNXBCJ-UORNWPOLSA-N
MW221.39 g/mol
LogP4.68
Rot. Bonds4

About 4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine

4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine (PubChem CID 123834599) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine.

Molecular Properties

Compound Name4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine
PubChem CID123834599
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine
SMILES[H]/N=C(\C)C(C)=C(C(C)CC)C1CC(C)C1C
InChIInChI=1S/C15H27N/c1-7-9(2)15(12(5)13(6)16)14-8-10(3)11(14)4/h9-11,14,16H,7-8H2,1-6H3/b15-12?,16-13+
InChIKeyBLTMCJWOVNXBCJ-UORNWPOLSA-N
XLogP4.68
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
2-(3,3-Difluorocyclobutyl)-4,5-dimethylhept-4-en-3-imine;ethane
CID 178168484
2-(3,3-Difluorocyclobutyl)-4,5-dimethylhept-4-en-3-imine
CID 178168485
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
(E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine
CID 90713365
6-Tert-butyl-4,5,7-trimethylnon-6-en-3-imine
CID 91135805
2-Methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine
CID 91346033
3,7,8,10-Tetramethyldodec-9-en-4-imine
CID 91500026
6-ethyl-5-methyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-imine
CID 117807390
(E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine
CID 123232866
2-Cyclopropyl-6,7-dimethyloct-6-en-3-imine
CID 123420612
5-Ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine
CID 123453677

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine?
The IUPAC name of 4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine (CID 123834599) is 4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine.
What is the SMILES notation for 4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine?
The canonical SMILES for 4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine is [H]/N=C(\C)C(C)=C(C(C)CC)C1CC(C)C1C.
What is the InChIKey of 4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine?
The InChIKey is BLTMCJWOVNXBCJ-UORNWPOLSA-N. The full InChI is InChI=1S/C15H27N/c1-7-9(2)15(12(5)13(6)16)14-8-10(3)11(14)4/h9-11,14,16H,7-8H2,1-6H3/b15-12?,16-13+.
What are the key properties of 4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine?
4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine has a molecular weight of 221.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine is sourced from PubChem (CID 123834599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).