5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine

C9H13NO — CID 142806933

IUPAC5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine
SMILESCOC1(C)C=CC=C(N)C=C1
InChIInChI=1S/C9H13NO/c1-9(11-2)6-3-4-8(10)5-7-9/h3-7H,10H2,1-2H3
InChIKeyJPLZNUNLXYDTAC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.36
Rot. Bonds1

About 5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine

5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine (PubChem CID 142806933) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine
PubChem CID142806933
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine
SMILESCOC1(C)C=CC=C(N)C=C1
InChIInChI=1S/C9H13NO/c1-9(11-2)6-3-4-8(10)5-7-9/h3-7H,10H2,1-2H3
InChIKeyJPLZNUNLXYDTAC-UHFFFAOYSA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine (CID 142806933) is 5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine is COC1(C)C=CC=C(N)C=C1.
What is the InChIKey of 5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is JPLZNUNLXYDTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(11-2)6-3-4-8(10)5-7-9/h3-7H,10H2,1-2H3.
What are the key properties of 5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine?
5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 142806933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).