2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine

C12H21NO — CID 91088098

IUPAC2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1=C(C)C=C(CC(C)C)CC1N
InChIInChI=1S/C12H21NO/c1-8(2)5-10-6-9(3)12(14-4)11(13)7-10/h6,8,11H,5,7,13H2,1-4H3
InChIKeyMFTQSNMQDPQLEF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.61
Rot. Bonds3

About 2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine

2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine (PubChem CID 91088098) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
PubChem CID91088098
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1=C(C)C=C(CC(C)C)CC1N
InChIInChI=1S/C12H21NO/c1-8(2)5-10-6-9(3)12(14-4)11(13)7-10/h6,8,11H,5,7,13H2,1-4H3
InChIKeyMFTQSNMQDPQLEF-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methoxy-3-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]propan-2-amine
CID 68396138
2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine
CID 70892626
5-Cyclohexa-1,3-dien-1-yl-2-methoxycyclohexa-2,4-dien-1-amine
CID 123779423
2-(4-Methoxycyclohexa-1,3-dien-1-yl)cyclopropan-1-amine
CID 123901361
(3S)-3-(4-methoxycyclohexa-1,3-dien-1-yl)butan-2-amine
CID 142052797
(1S)-4-(2-methoxyprop-2-enyl)-1,2,3,4-tetrahydropentalen-1-amine;molecular hydrogen
CID 143343498
4-(5-Methoxycyclohexa-2,4-dien-1-yl)butan-1-amine
CID 14768818
cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647236
1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-amine
CID 102647276
3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methanamine
CID 102647314
3,4-dihydro-2H-pyran-6-yl-(4-ethylcyclohexyl)methanamine
CID 102647577
cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647585

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine (CID 91088098) is 2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine is COC1=C(C)C=C(CC(C)C)CC1N.
What is the InChIKey of 2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is MFTQSNMQDPQLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)5-10-6-9(3)12(14-4)11(13)7-10/h6,8,11H,5,7,13H2,1-4H3.
What are the key properties of 2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine?
2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 91088098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).