4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine

C15H27N — CID 91445250

IUPAC4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(CC(C)(C)C(C)C(C)C)CC1
InChIInChI=1S/C15H27N/c1-11(2)12(3)15(4,5)10-13-6-8-14(16)9-7-13/h6,8,11-13,16H,7,9-10H2,1-5H3/b16-14-
InChIKeyBSIRNQDWIKDYBB-PEZBUJJGSA-N
MW221.39 g/mol
LogP4.68
Rot. Bonds4

About 4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine

4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine (PubChem CID 91445250) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine
PubChem CID91445250
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(CC(C)(C)C(C)C(C)C)CC1
InChIInChI=1S/C15H27N/c1-11(2)12(3)15(4,5)10-13-6-8-14(16)9-7-13/h6,8,11-13,16H,7,9-10H2,1-5H3/b16-14-
InChIKeyBSIRNQDWIKDYBB-PEZBUJJGSA-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
3-Fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine
CID 123916073
1-Cyclohexyl-imino-2-butene
CID 129765474
6-(2-Iminocyclohexyl)cyclohexa-2,4-dien-1-imine
CID 134859228
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
19,21-Dimethyl-19,21-bis(2-methylpropyl)nonatriaconta-9,30-dien-20-imine
CID 54130774
2-(2-Methylpentan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 56977683
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
3-[(E)-but-2-en-2-yl]-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587061

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine?
The IUPAC name of 4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine (CID 91445250) is 4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine.
What is the SMILES notation for 4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine?
The canonical SMILES for 4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine is [H]/N=C1/C=CC(CC(C)(C)C(C)C(C)C)CC1.
What is the InChIKey of 4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine?
The InChIKey is BSIRNQDWIKDYBB-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H27N/c1-11(2)12(3)15(4,5)10-13-6-8-14(16)9-7-13/h6,8,11-13,16H,7,9-10H2,1-5H3/b16-14-.
What are the key properties of 4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine?
4-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-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-(2,2,3,4-tetramethylpentyl)cyclohex-2-en-1-imine is sourced from PubChem (CID 91445250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).