3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine

C11H21NO — CID 130595883

IUPAC3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine
SMILESCOCC(C)C1=CC(N)CC(C)C1
InChIInChI=1S/C11H21NO/c1-8-4-10(6-11(12)5-8)9(2)7-13-3/h6,8-9,11H,4-5,7,12H2,1-3H3
InChIKeyPYOKMRNVFUTLLA-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds3

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

3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine (PubChem CID 130595883) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine
PubChem CID130595883
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine
SMILESCOCC(C)C1=CC(N)CC(C)C1
InChIInChI=1S/C11H21NO/c1-8-4-10(6-11(12)5-8)9(2)7-13-3/h6,8-9,11H,4-5,7,12H2,1-3H3
InChIKeyPYOKMRNVFUTLLA-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
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

5,5-Dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohex-2-en-1-amine
CID 65177475
4-(Cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine
CID 106655075
4-[4-(Methoxymethyl)cyclohex-3-en-1-yl]butan-2-amine
CID 68340930
(1S)-1-[5-tert-butyl-3-(methoxymethyl)cyclohex-2-en-1-yl]ethanamine
CID 68341149
2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine
CID 70892626
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
(1R)-4-[(2S)-2,3-dihydrofuran-2-yl]-2-methylcyclohex-2-en-1-amine
CID 89153852
1-(4-Amino-3-methylcyclohex-2-en-1-yl)butan-1-ol
CID 89153953
(E)-2-ethyl-7-methoxy-4-propylhept-2-en-1-amine
CID 118282127
Amino-[4-(1-aminoethyl)cyclohex-3-en-1-yl]methanol
CID 122691909
4-(2,3,6,7-Tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine
CID 142935844
Sodium 4-[2-(4-aminocyclohexen-1-yl)propan-2-yl]cyclohex-3-en-1-olate
CID 144346955

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine?
The IUPAC name of 3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine (CID 130595883) is 3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine?
The canonical SMILES for 3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine is COCC(C)C1=CC(N)CC(C)C1.
What is the InChIKey of 3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine?
The InChIKey is PYOKMRNVFUTLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-4-10(6-11(12)5-8)9(2)7-13-3/h6,8-9,11H,4-5,7,12H2,1-3H3.
What are the key properties of 3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine?
3-(1-methoxypropan-2-yl)-5-methylcyclohex-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.95, 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-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 130595883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).