N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine

C12H23NO — CID 53373523

IUPACN-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine
SMILESCONC(C)C1CCC(C)=CC1(C)C
InChIInChI=1S/C12H23NO/c1-9-6-7-11(10(2)13-14-5)12(3,4)8-9/h8,10-11,13H,6-7H2,1-5H3
InChIKeyDPYDHEBMUSVNAW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.91
Rot. Bonds3

About N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine

N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine (PubChem CID 53373523) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine.

Molecular Properties

Compound NameN-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine
PubChem CID53373523
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine
SMILESCONC(C)C1CCC(C)=CC1(C)C
InChIInChI=1S/C12H23NO/c1-9-6-7-11(10(2)13-14-5)12(3,4)8-9/h8,10-11,13H,6-7H2,1-5H3
InChIKeyDPYDHEBMUSVNAW-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine?
The IUPAC name of N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine (CID 53373523) is N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine.
What is the SMILES notation for N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine?
The canonical SMILES for N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine is CONC(C)C1CCC(C)=CC1(C)C.
What is the InChIKey of N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine?
The InChIKey is DPYDHEBMUSVNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-6-7-11(10(2)13-14-5)12(3,4)8-9/h8,10-11,13H,6-7H2,1-5H3.
What are the key properties of N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine?
N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanamine is sourced from PubChem (CID 53373523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).