5-methoxy-N-methylcyclohex-2-en-1-amine

C8H15NO — CID 144521544

IUPAC5-methoxy-N-methylcyclohex-2-en-1-amine
SMILESCNC1C=CCC(OC)C1
InChIInChI=1S/C8H15NO/c1-9-7-4-3-5-8(6-7)10-2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyKPTRTJUOSHZRMX-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds2

About 5-methoxy-N-methylcyclohex-2-en-1-amine

5-methoxy-N-methylcyclohex-2-en-1-amine (PubChem CID 144521544) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-methoxy-N-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name5-methoxy-N-methylcyclohex-2-en-1-amine
PubChem CID144521544
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-methoxy-N-methylcyclohex-2-en-1-amine
SMILESCNC1C=CCC(OC)C1
InChIInChI=1S/C8H15NO/c1-9-7-4-3-5-8(6-7)10-2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyKPTRTJUOSHZRMX-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxycyclohex-2-en-1-amine
CID 76223862
N-(3-methoxypropyl)cyclohex-2-en-1-amine
CID 107906534
4-methoxy-N-methylhept-6-en-2-amine
CID 137401090
N,N,1,4,5,5,6-heptadeuterio-6-methoxycyclohex-2-en-1-amine
CID 141756165
5-(Methylamino)cyclohex-3-en-1-ol
CID 141771080
CID 142233588
CID 142233588
(1S,2S)-2-(methylamino)cyclohex-3-en-1-ol
CID 144192152
6-methoxy-N-methylcyclohex-2-en-1-amine
CID 147170948
4-methoxy-N-methylcyclohex-2-en-1-amine
CID 149461992
(1S,2R)-2-(ethylamino)cyclohex-3-en-1-ol
CID 11332522
(1R,6R)-6-methoxycyclohex-2-en-1-amine
CID 55285704
(1R,2R)-2-(methylamino)cyclohex-3-en-1-ol
CID 55288308

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methylcyclohex-2-en-1-amine?
The IUPAC name of 5-methoxy-N-methylcyclohex-2-en-1-amine (CID 144521544) is 5-methoxy-N-methylcyclohex-2-en-1-amine.
What is the SMILES notation for 5-methoxy-N-methylcyclohex-2-en-1-amine?
The canonical SMILES for 5-methoxy-N-methylcyclohex-2-en-1-amine is CNC1C=CCC(OC)C1.
What is the InChIKey of 5-methoxy-N-methylcyclohex-2-en-1-amine?
The InChIKey is KPTRTJUOSHZRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-7-4-3-5-8(6-7)10-2/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 5-methoxy-N-methylcyclohex-2-en-1-amine?
5-methoxy-N-methylcyclohex-2-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 144521544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).