3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine

C12H23NO — CID 65177087

IUPAC3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCOCC(C)C1=CC(N)CC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-9(8-14-4)10-5-11(13)7-12(2,3)6-10/h5,9,11H,6-8,13H2,1-4H3
InChIKeyZXQDBAXYMJPUSB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds3

About 3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine

3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine (PubChem CID 65177087) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine
PubChem CID65177087
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine
SMILESCOCC(C)C1=CC(N)CC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-9(8-14-4)10-5-11(13)7-12(2,3)6-10/h5,9,11H,6-8,13H2,1-4H3
InChIKeyZXQDBAXYMJPUSB-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
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 3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine (CID 65177087) is 3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine is COCC(C)C1=CC(N)CC(C)(C)C1.
What is the InChIKey of 3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is ZXQDBAXYMJPUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(8-14-4)10-5-11(13)7-12(2,3)6-10/h5,9,11H,6-8,13H2,1-4H3.
What are the key properties of 3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine?
3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yl)-5,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 65177087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).