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

C13H23NO — CID 70892512

IUPAC2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine
SMILESCCC(C)COC1=C(C)C(N)CC=C1C
InChIInChI=1S/C13H23NO/c1-5-9(2)8-15-13-10(3)6-7-12(14)11(13)4/h6,9,12H,5,7-8,14H2,1-4H3
InChIKeyJSSVXGMVXYYCFU-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.00
Rot. Bonds4

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

2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine (PubChem CID 70892512) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine
PubChem CID70892512
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine
SMILESCCC(C)COC1=C(C)C(N)CC=C1C
InChIInChI=1S/C13H23NO/c1-5-9(2)8-15-13-10(3)6-7-12(14)11(13)4/h6,9,12H,5,7-8,14H2,1-4H3
InChIKeyJSSVXGMVXYYCFU-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine (CID 70892512) is 2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine is CCC(C)COC1=C(C)C(N)CC=C1C.
What is the InChIKey of 2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is JSSVXGMVXYYCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-9(2)8-15-13-10(3)6-7-12(14)11(13)4/h6,9,12H,5,7-8,14H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine?
2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(2-methylbutoxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70892512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).