6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol

C9H13NO — CID 142014773

IUPAC6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol
SMILESCC1(C)C=CC(N)=CC(O)=C1
InChIInChI=1S/C9H13NO/c1-9(2)4-3-7(10)5-8(11)6-9/h3-6,11H,10H2,1-2H3
InChIKeyHBJOHIBIVRBYJB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.87
Rot. Bonds

About 6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol

6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol (PubChem CID 142014773) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol.

Molecular Properties

Compound Name6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol
PubChem CID142014773
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol
SMILESCC1(C)C=CC(N)=CC(O)=C1
InChIInChI=1S/C9H13NO/c1-9(2)4-3-7(10)5-8(11)6-9/h3-6,11H,10H2,1-2H3
InChIKeyHBJOHIBIVRBYJB-UHFFFAOYSA-N
XLogP1.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Amino-7-fluorocyclohepta-1,4,6-trien-1-ol
CID 156715066
3-(Tert-butylamino)-5-fluoro-5-methylcyclohepta-1,3,6-trien-1-ol
CID 166168729
4-Amino-2-methylbenzene-6-id-1-ol;yttrium
CID 57888499
(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
(2Z,4Z,6E)-2-amino-4,5-dimethylocta-2,4,6-trien-3-ol
CID 88566743
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(2E,4E)-4-amino-7-methylocta-2,4,7-trien-3-ol
CID 89010550
(2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol
CID 89336217
(2Z,4Z)-5-aminohepta-2,4-dien-4-ol
CID 126500173
5-Amino-5-methylcyclohepta-1,3,6-trien-1-ol
CID 126612422
(2Z,4Z)-2-aminohepta-2,4-dien-3-ol
CID 129054924
(3Z,6E)-6-aminoocta-1,3,6-trien-2-ol
CID 130391051

Frequently Asked Questions

What is the IUPAC name of 6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol?
The IUPAC name of 6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol (CID 142014773) is 6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol.
What is the SMILES notation for 6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol?
The canonical SMILES for 6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol is CC1(C)C=CC(N)=CC(O)=C1.
What is the InChIKey of 6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol?
The InChIKey is HBJOHIBIVRBYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(2)4-3-7(10)5-8(11)6-9/h3-6,11H,10H2,1-2H3.
What are the key properties of 6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol?
6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol is sourced from PubChem (CID 142014773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).