3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine

C14H21N — CID 123512952

IUPAC3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine
SMILESCCC(C)(C)/N=c1\ccc(C)cc(C)c1
InChIInChI=1S/C14H21N/c1-6-14(4,5)15-13-8-7-11(2)9-12(3)10-13/h7-10H,6H2,1-5H3/b15-13+
InChIKeyASXIFBHCWIHGRI-FYWRMAATSA-N
MW203.33 g/mol
LogP3.39
Rot. Bonds2

About 3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine

3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine (PubChem CID 123512952) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine
PubChem CID123512952
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine
SMILESCCC(C)(C)/N=c1\ccc(C)cc(C)c1
InChIInChI=1S/C14H21N/c1-6-14(4,5)15-13-8-7-11(2)9-12(3)10-13/h7-10H,6H2,1-5H3/b15-13+
InChIKeyASXIFBHCWIHGRI-FYWRMAATSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

t-Butyl(1,3-dimethyl-2-butenylidene)amine
CID 10975694
N-methylcyclohepta-2,4,6-trien-1-imine
CID 12331379
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
(Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine
CID 59179929
penta-1,3-diene;ruthenium(2+);2,2,4,5-tetramethyl-3H-pyrrol-3-ide
CID 87322672
(3E,6Z)-4-ethyl-N-methyl-5-methylidenenona-3,6,8-trien-2-imine
CID 88575967
(3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine
CID 89033543
(3Z)-N,5-dimethylhexa-3,5-dien-2-imine
CID 89076855
(4Z)-N-tert-butyl-2,2,5-trimethylhepta-4,6-dien-3-imine
CID 89360730
(4Z)-N-methyl-3-propan-2-ylidenehepta-4,6-dien-2-imine
CID 89376422
(3Z)-N-ethyl-4-methylhexa-3,5-dien-2-imine
CID 89469233
(4Z)-N,5-dimethylhepta-1,4,6-trien-3-imine
CID 89864197

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine?
The IUPAC name of 3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine (CID 123512952) is 3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine?
The canonical SMILES for 3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine is CCC(C)(C)/N=c1\ccc(C)cc(C)c1.
What is the InChIKey of 3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine?
The InChIKey is ASXIFBHCWIHGRI-FYWRMAATSA-N. The full InChI is InChI=1S/C14H21N/c1-6-14(4,5)15-13-8-7-11(2)9-12(3)10-13/h7-10H,6H2,1-5H3/b15-13+.
What are the key properties of 3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine?
3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine has a molecular weight of 203.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine is sourced from PubChem (CID 123512952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).