N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine

C11H19NO — CID 57013268

IUPACN-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine
SMILESCONC=C1C(C)C=C(C)CC1C
InChIInChI=1S/C11H19NO/c1-8-5-9(2)11(7-12-13-4)10(3)6-8/h5,7,9-10,12H,6H2,1-4H3
InChIKeyAXGMXURPGVMEMJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.64
Rot. Bonds2

About N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine

N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine (PubChem CID 57013268) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine
PubChem CID57013268
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine
SMILESCONC=C1C(C)C=C(C)CC1C
InChIInChI=1S/C11H19NO/c1-8-5-9(2)11(7-12-13-4)10(3)6-8/h5,7,9-10,12H,6H2,1-4H3
InChIKeyAXGMXURPGVMEMJ-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.64
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-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine?
The IUPAC name of N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine (CID 57013268) is N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine.
What is the SMILES notation for N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine?
The canonical SMILES for N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine is CONC=C1C(C)C=C(C)CC1C.
What is the InChIKey of N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine?
The InChIKey is AXGMXURPGVMEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-5-9(2)11(7-12-13-4)10(3)6-8/h5,7,9-10,12H,6H2,1-4H3.
What are the key properties of N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine?
N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine has a molecular weight of 181.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2,4,6-trimethylcyclohex-3-en-1-ylidene)methanamine is sourced from PubChem (CID 57013268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).