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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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).