2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine

C12H23NO — CID 163786666

IUPAC2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine
SMILESCCC1C(CCN)C=C(OC)C[C@H]1C
InChIInChI=1S/C12H23NO/c1-4-12-9(2)7-11(14-3)8-10(12)5-6-13/h8-10,12H,4-7,13H2,1-3H3/t9-,10?,12?/m1/s1
InChIKeyMTDQTJSZFHTIFV-GRZMOONWSA-N
MW197.32 g/mol
LogP2.55
Rot. Bonds4

About 2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine

2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine (PubChem CID 163786666) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine
PubChem CID163786666
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine
SMILESCCC1C(CCN)C=C(OC)C[C@H]1C
InChIInChI=1S/C12H23NO/c1-4-12-9(2)7-11(14-3)8-10(12)5-6-13/h8-10,12H,4-7,13H2,1-3H3/t9-,10?,12?/m1/s1
InChIKeyMTDQTJSZFHTIFV-GRZMOONWSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-Dihydro-3-methoxyphenyl)butylamine
CID 578359
(4-Methoxycyclohex-3-en-1-yl)methanamine
CID 53231493
1-Amino-2-(4-methoxycyclohex-3-en-1-yl)-3-methyloctan-3-ol
CID 71188651
(3S)-6-methoxy-3-propylhept-6-en-1-amine
CID 88673571
4-(5,6-dimethyl-4H-pyran-2-yl)oct-7-en-1-amine
CID 123241681
2-(7-Methoxy-3,4,8,8a-tetrahydronaphthalen-1-yl)ethanamine
CID 123461500
4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine
CID 123815021
3-[(1S)-5-(2-propylpentoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373101
3-[5-(Cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]butan-1-amine
CID 130373131
3-[5-(2-Ethylbutoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373189
3-[5-(2-Propylpentoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373211
(2R)-3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine
CID 130373329

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine?
The IUPAC name of 2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine (CID 163786666) is 2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine.
What is the SMILES notation for 2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine?
The canonical SMILES for 2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine is CCC1C(CCN)C=C(OC)C[C@H]1C.
What is the InChIKey of 2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine?
The InChIKey is MTDQTJSZFHTIFV-GRZMOONWSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-12-9(2)7-11(14-3)8-10(12)5-6-13/h8-10,12H,4-7,13H2,1-3H3/t9-,10?,12?/m1/s1.
What are the key properties of 2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine?
2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-6-ethyl-3-methoxy-5-methylcyclohex-2-en-1-yl]ethanamine is sourced from PubChem (CID 163786666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).