2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol

C9H13NO — CID 142810343

IUPAC2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol
SMILESCNC1=CC=CC(C)=C(O)C1
InChIInChI=1S/C9H13NO/c1-7-4-3-5-8(10-2)6-9(7)11/h3-5,10-11H,6H2,1-2H3
InChIKeyIWRDFNRRYIAHDC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.88
Rot. Bonds1

About 2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol

2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol (PubChem CID 142810343) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol
PubChem CID142810343
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol
SMILESCNC1=CC=CC(C)=C(O)C1
InChIInChI=1S/C9H13NO/c1-7-4-3-5-8(10-2)6-9(7)11/h3-5,10-11H,6H2,1-2H3
InChIKeyIWRDFNRRYIAHDC-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol
CID 129308737
(3Z,5E)-4-ethyl-2-methyl-6-(methylamino)octa-1,3,5-trien-3-ol
CID 141920029
(3Z)-2-methyl-4-(methylamino)hexa-1,3,5-trien-3-ol
CID 142999523
4-(Methylamino)cyclohepta-1,3,5-trien-1-ol
CID 143531361
[(2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-yl]oxidanium
CID 145341600
(2E,4E)-5-(methylamino)hepta-2,4-dien-2-ol
CID 154534037
(3E,5E)-6-(methylamino)hepta-3,5-dien-3-ol
CID 166892548
(2E)-5-(methylamino)hepta-2,4-dien-2-ol
CID 174080457
6-Amino-2-methylcyclohepta-1,3,5-trien-1-ol
CID 142180437
(3E,5E)-6-(ethenylamino)hepta-3,5-dien-3-ol
CID 145513271
(3E)-2-methyl-5-(methylamino)hepta-1,3,5-trien-3-ol
CID 172388247

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol?
The IUPAC name of 2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol (CID 142810343) is 2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol.
What is the SMILES notation for 2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol?
The canonical SMILES for 2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol is CNC1=CC=CC(C)=C(O)C1.
What is the InChIKey of 2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol?
The InChIKey is IWRDFNRRYIAHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-3-5-8(10-2)6-9(7)11/h3-5,10-11H,6H2,1-2H3.
What are the key properties of 2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol?
2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-ol is sourced from PubChem (CID 142810343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).