3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine

C14H27N — CID 123240819

IUPAC3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine
SMILES[H]/N=C1\CCCC(C)C(C)C1C(C)C(C)C
InChIInChI=1S/C14H27N/c1-9(2)11(4)14-12(5)10(3)7-6-8-13(14)15/h9-12,14-15H,6-8H2,1-5H3/b15-13+
InChIKeyCTNUFDYPCJETOO-FYWRMAATSA-N
MW209.38 g/mol
LogP4.37
Rot. Bonds2

About 3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine

3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine (PubChem CID 123240819) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine.

Molecular Properties

Compound Name3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine
PubChem CID123240819
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine
SMILES[H]/N=C1\CCCC(C)C(C)C1C(C)C(C)C
InChIInChI=1S/C14H27N/c1-9(2)11(4)14-12(5)10(3)7-6-8-13(14)15/h9-12,14-15H,6-8H2,1-5H3/b15-13+
InChIKeyCTNUFDYPCJETOO-FYWRMAATSA-N
XLogP4.37
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iminocyclopentan-1-ol
CID 131743641
5,7-dimethylbicyclo[4.1.0]heptan-2-imine
CID 129276415
bicyclo[4.2.0]octan-2-imine
CID 142909528
cis-(1R,2S)-1-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopentane
CID 163236440
2-(4-methylpentan-2-yl)cyclohexan-1-imine
CID 163848333
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one
CID 126671040
1,2,3-trimethylcycloheptane
CID 54005509
2-iminocyclohexan-1-amine
CID 23599757
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine?
The IUPAC name of 3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine (CID 123240819) is 3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine.
What is the SMILES notation for 3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine?
The canonical SMILES for 3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine is [H]/N=C1\CCCC(C)C(C)C1C(C)C(C)C.
What is the InChIKey of 3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine?
The InChIKey is CTNUFDYPCJETOO-FYWRMAATSA-N. The full InChI is InChI=1S/C14H27N/c1-9(2)11(4)14-12(5)10(3)7-6-8-13(14)15/h9-12,14-15H,6-8H2,1-5H3/b15-13+.
What are the key properties of 3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine?
3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine has a molecular weight of 209.38 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(3-methylbutan-2-yl)cycloheptan-1-imine is sourced from PubChem (CID 123240819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).