2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine

C15H27NO — CID 71181943

IUPAC2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine
SMILESCNC1([C@@H]2C=CCCC2C)CCCCC1OC
InChIInChI=1S/C15H27NO/c1-12-8-4-5-9-13(12)15(16-2)11-7-6-10-14(15)17-3/h5,9,12-14,16H,4,6-8,10-11H2,1-3H3/t12?,13-,14?,15?/m1/s1
InChIKeyGGAMOJYRLKXOOM-MXTXEEQBSA-N
MW237.39 g/mol
LogP3.14
Rot. Bonds3

About 2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine

2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine (PubChem CID 71181943) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine
PubChem CID71181943
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine
SMILESCNC1([C@@H]2C=CCCC2C)CCCCC1OC
InChIInChI=1S/C15H27NO/c1-12-8-4-5-9-13(12)15(16-2)11-7-6-10-14(15)17-3/h5,9,12-14,16H,4,6-8,10-11H2,1-3H3/t12?,13-,14?,15?/m1/s1
InChIKeyGGAMOJYRLKXOOM-MXTXEEQBSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.14
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 2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine (CID 71181943) is 2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine is CNC1([C@@H]2C=CCCC2C)CCCCC1OC.
What is the InChIKey of 2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine?
The InChIKey is GGAMOJYRLKXOOM-MXTXEEQBSA-N. The full InChI is InChI=1S/C15H27NO/c1-12-8-4-5-9-13(12)15(16-2)11-7-6-10-14(15)17-3/h5,9,12-14,16H,4,6-8,10-11H2,1-3H3/t12?,13-,14?,15?/m1/s1.
What are the key properties of 2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine?
2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 71181943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).