N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine

C13H23N — CID 166982826

IUPACN-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine
SMILESC=C(C)C1(C)CCC(C/C=N/C)CC1
InChIInChI=1S/C13H23N/c1-11(2)13(3)8-5-12(6-9-13)7-10-14-4/h10,12H,1,5-9H2,2-4H3/b14-10+
InChIKeyZWDCVZPFUATJFN-GXDHUFHOSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds3

About N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine

N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine (PubChem CID 166982826) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine
PubChem CID166982826
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine
SMILESC=C(C)C1(C)CCC(C/C=N/C)CC1
InChIInChI=1S/C13H23N/c1-11(2)13(3)8-5-12(6-9-13)7-10-14-4/h10,12H,1,5-9H2,2-4H3/b14-10+
InChIKeyZWDCVZPFUATJFN-GXDHUFHOSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine?
The IUPAC name of N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine (CID 166982826) is N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine.
What is the SMILES notation for N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine?
The canonical SMILES for N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine is C=C(C)C1(C)CCC(C/C=N/C)CC1.
What is the InChIKey of N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine?
The InChIKey is ZWDCVZPFUATJFN-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H23N/c1-11(2)13(3)8-5-12(6-9-13)7-10-14-4/h10,12H,1,5-9H2,2-4H3/b14-10+.
What are the key properties of N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine?
N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine has a molecular weight of 193.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-4-prop-1-en-2-ylcyclohexyl)ethanimine is sourced from PubChem (CID 166982826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).