3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine

C12H23NO — CID 103037569

IUPAC3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine
SMILESCOC(C)(C)CCC1=CC(N)CCC1
InChIInChI=1S/C12H23NO/c1-12(2,14-3)8-7-10-5-4-6-11(13)9-10/h9,11H,4-8,13H2,1-3H3
InChIKeyKXVGBBLTTWPPNJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds4

About 3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine

3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine (PubChem CID 103037569) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine
PubChem CID103037569
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine
SMILESCOC(C)(C)CCC1=CC(N)CCC1
InChIInChI=1S/C12H23NO/c1-12(2,14-3)8-7-10-5-4-6-11(13)9-10/h9,11H,4-8,13H2,1-3H3
InChIKeyKXVGBBLTTWPPNJ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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-Methoxy-1,2,3,4,5,8-hexahydronaphthalen-1-amine
CID 53775110
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
2-Methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
CID 91088098
(2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine
CID 150212700
4-(5-Methoxy-1,5-dimethylcyclohex-2-en-1-yl)butan-1-amine
CID 151719316
3-(2-Tert-butylsilyloxypropan-2-yl)cyclohex-2-en-1-amine
CID 154388861
3-(1-Methoxypropan-2-yl)cyclohex-2-en-1-amine
CID 65171654
3-(3-Methoxypropyl)cyclohex-2-en-1-amine
CID 65171746
3-(Oxan-4-ylmethyl)cyclohex-2-en-1-amine
CID 65172158
3-(Oxan-4-yl)cyclohex-2-en-1-amine
CID 65172307
3-(Oxan-4-ylmethyl)cyclopent-2-en-1-amine
CID 65174465
3-(Oxan-4-yl)cyclopent-2-en-1-amine
CID 65174636

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine (CID 103037569) is 3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine is COC(C)(C)CCC1=CC(N)CCC1.
What is the InChIKey of 3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine?
The InChIKey is KXVGBBLTTWPPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,14-3)8-7-10-5-4-6-11(13)9-10/h9,11H,4-8,13H2,1-3H3.
What are the key properties of 3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine?
3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 103037569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).