6-amino-2-methylcyclohepta-1,3,5-trien-1-ol

C8H11NO — CID 142180437

IUPAC6-amino-2-methylcyclohepta-1,3,5-trien-1-ol
SMILESCC1=C(O)CC(N)=CC=C1
InChIInChI=1S/C8H11NO/c1-6-3-2-4-7(9)5-8(6)10/h2-4,10H,5,9H2,1H3
InChIKeySAAQBVILBNNIOL-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.62
Rot. Bonds

About 6-amino-2-methylcyclohepta-1,3,5-trien-1-ol

6-amino-2-methylcyclohepta-1,3,5-trien-1-ol (PubChem CID 142180437) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 6-amino-2-methylcyclohepta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name6-amino-2-methylcyclohepta-1,3,5-trien-1-ol
PubChem CID142180437
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name6-amino-2-methylcyclohepta-1,3,5-trien-1-ol
SMILESCC1=C(O)CC(N)=CC=C1
InChIInChI=1S/C8H11NO/c1-6-3-2-4-7(9)5-8(6)10/h2-4,10H,5,9H2,1H3
InChIKeySAAQBVILBNNIOL-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-amino-2-methylcyclohepta-1,3,5-trien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
(5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol
CID 89047516
(1Z,3Z,6Z)-6-aminocycloocta-1,3,6-trien-1-ol
CID 126762505
(3E,5E)-6-aminohepta-3,5-dien-3-ol;ethane
CID 141772048
(3E,5E)-6-aminoocta-3,5-dien-3-ol;ethane;ethene
CID 141772051
2-Amino-4-methylcyclohepta-1,3,5-trien-1-ol
CID 142028947
5-Aminocyclohepta-1,3,5-trien-1-ol
CID 142889473
(2E,4E)-5-amino-3,6-dimethylhepta-2,4,6-trien-2-ol
CID 146288833
4-Aminocyclohepta-1,3,5-trien-1-ol
CID 155442001
(2E,4E,6E,8E,10E,12E,14E)-15-amino-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-ol
CID 164094541
(3E,5Z)-7-amino-5-methylocta-1,3,5,7-tetraen-4-ol
CID 164168628
(4Z,6E)-5-amino-6-methylocta-1,4,6-trien-4-ol
CID 167296605

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methylcyclohepta-1,3,5-trien-1-ol?
The IUPAC name of 6-amino-2-methylcyclohepta-1,3,5-trien-1-ol (CID 142180437) is 6-amino-2-methylcyclohepta-1,3,5-trien-1-ol.
What is the SMILES notation for 6-amino-2-methylcyclohepta-1,3,5-trien-1-ol?
The canonical SMILES for 6-amino-2-methylcyclohepta-1,3,5-trien-1-ol is CC1=C(O)CC(N)=CC=C1.
What is the InChIKey of 6-amino-2-methylcyclohepta-1,3,5-trien-1-ol?
The InChIKey is SAAQBVILBNNIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-3-2-4-7(9)5-8(6)10/h2-4,10H,5,9H2,1H3.
What are the key properties of 6-amino-2-methylcyclohepta-1,3,5-trien-1-ol?
6-amino-2-methylcyclohepta-1,3,5-trien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylcyclohepta-1,3,5-trien-1-ol is sourced from PubChem (CID 142180437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).