2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine

C14H25NO — CID 135219146

IUPAC2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
SMILESCOC1=C(NC(C)C)C(C)CC(C(C)C)=C1
InChIInChI=1S/C14H25NO/c1-9(2)12-7-11(5)14(15-10(3)4)13(8-12)16-6/h8-11,15H,7H2,1-6H3
InChIKeyJGEANMDWQVIBRP-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.46
Rot. Bonds4

About 2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine

2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 135219146) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
PubChem CID135219146
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
SMILESCOC1=C(NC(C)C)C(C)CC(C(C)C)=C1
InChIInChI=1S/C14H25NO/c1-9(2)12-7-11(5)14(15-10(3)4)13(8-12)16-6/h8-11,15H,7H2,1-6H3
InChIKeyJGEANMDWQVIBRP-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine (CID 135219146) is 2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine is COC1=C(NC(C)C)C(C)CC(C(C)C)=C1.
What is the InChIKey of 2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is JGEANMDWQVIBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-9(2)12-7-11(5)14(15-10(3)4)13(8-12)16-6/h8-11,15H,7H2,1-6H3.
What are the key properties of 2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine?
2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 135219146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).