1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine

C12H21NO — CID 123773740

IUPAC1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine
SMILESCC1C=CC(C)(NCCC2CO2)CC1
InChIInChI=1S/C12H21NO/c1-10-3-6-12(2,7-4-10)13-8-5-11-9-14-11/h3,6,10-11,13H,4-5,7-9H2,1-2H3
InChIKeyVWWOLFONZLWOGF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds4

About 1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine

1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine (PubChem CID 123773740) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine
PubChem CID123773740
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine
SMILESCC1C=CC(C)(NCCC2CO2)CC1
InChIInChI=1S/C12H21NO/c1-10-3-6-12(2,7-4-10)13-8-5-11-9-14-11/h3,6,10-11,13H,4-5,7-9H2,1-2H3
InChIKeyVWWOLFONZLWOGF-UHFFFAOYSA-N
XLogP2.11
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxiran-2-yl)ethyl]propan-2-amine
CID 142537295
2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine
CID 130892841
(8R)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 10487077
N-(2-cyclohexylethyl)-2,3-dimethyloxolan-3-amine
CID 103529185
2-methyl-2-[2-(oxiran-2-yl)ethyl]-1,3-dioxole
CID 156780470
N-[2-(oxiran-2-yl)ethyl]carbamoyl iodide
CID 126670743
3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine
CID 104537106
1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65165282
[4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol
CID 165442527
[2-(oxiran-2-yl)ethylamino]methanetriol
CID 57136424
2-[2-(4-methylcyclohexyl)ethyl]oxirane
CID 58971302
CID 175475934
CID 175475934

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of 1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine (CID 123773740) is 1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for 1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine is CC1C=CC(C)(NCCC2CO2)CC1.
What is the InChIKey of 1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is VWWOLFONZLWOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-3-6-12(2,7-4-10)13-8-5-11-9-14-11/h3,6,10-11,13H,4-5,7-9H2,1-2H3.
What are the key properties of 1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine?
1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 123773740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).