1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine

C11H21NO — CID 106653838

IUPAC1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine
SMILESCNC(C1=CCCCC1)C(C)OC
InChIInChI=1S/C11H21NO/c1-9(13-3)11(12-2)10-7-5-4-6-8-10/h7,9,11-12H,4-6,8H2,1-3H3
InChIKeyXMMHAFGCFNRSRZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds4

About 1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine

1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine (PubChem CID 106653838) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine
PubChem CID106653838
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine
SMILESCNC(C1=CCCCC1)C(C)OC
InChIInChI=1S/C11H21NO/c1-9(13-3)11(12-2)10-7-5-4-6-8-10/h7,9,11-12H,4-6,8H2,1-3H3
InChIKeyXMMHAFGCFNRSRZ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine (CID 106653838) is 1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine is CNC(C1=CCCCC1)C(C)OC.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine?
The InChIKey is XMMHAFGCFNRSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(13-3)11(12-2)10-7-5-4-6-8-10/h7,9,11-12H,4-6,8H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine?
1-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine has a molecular weight of 183.29 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-(cyclohexen-1-yl)-2-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 106653838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).