2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine

C12H19NO — CID 89073822

IUPAC2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine
SMILESCC1=C(C)C(N)CC=C1C1CCCO1
InChIInChI=1S/C12H19NO/c1-8-9(2)11(13)6-5-10(8)12-4-3-7-14-12/h5,11-12H,3-4,6-7,13H2,1-2H3
InChIKeyBODCOJXSYMXWDW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.16
Rot. Bonds1

About 2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine

2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 89073822) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine
PubChem CID89073822
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine
SMILESCC1=C(C)C(N)CC=C1C1CCCO1
InChIInChI=1S/C12H19NO/c1-8-9(2)11(13)6-5-10(8)12-4-3-7-14-12/h5,11-12H,3-4,6-7,13H2,1-2H3
InChIKeyBODCOJXSYMXWDW-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Cyclopentyloxy-2-methylcyclohexa-2,4-dien-1-amine
CID 89073833
(E)-6-(oxolan-2-yl)oct-5-en-3-amine
CID 89074037
4-Cyclopentyloxy-2-methylcyclohex-2-en-1-amine
CID 89154099
2-(2,3,4,5-tetrahydro-1H-inden-5-yloxy)ethanamine
CID 141057839
(1S)-1-[4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-yl]ethanamine;molecular hydrogen
CID 143344145
ethane;3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143411990
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine
CID 143522212
2,4-Dimethyl-5-[1-(oxolan-2-yl)ethenyl]-1,2,3,6-tetrahydropyridine
CID 145116693
3-Methyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 145594625
2-Methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine
CID 146429901
3-(Ethoxymethyl)cyclohex-2-en-1-amine
CID 79568782
3-(Propan-2-yloxymethyl)cyclohex-2-en-1-amine
CID 79568783

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine (CID 89073822) is 2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine is CC1=C(C)C(N)CC=C1C1CCCO1.
What is the InChIKey of 2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is BODCOJXSYMXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-9(2)11(13)6-5-10(8)12-4-3-7-14-12/h5,11-12H,3-4,6-7,13H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine?
2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(oxolan-2-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89073822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).