3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol

C8H13NO — CID 174725728

IUPAC3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol
SMILESCC1C=CC(O)=CC1(C)N
InChIInChI=1S/C8H13NO/c1-6-3-4-7(10)5-8(6,2)9/h3-6,10H,9H2,1-2H3
InChIKeyRVZVYUNSMCMTSJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.35
Rot. Bonds

About 3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol

3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol (PubChem CID 174725728) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol
PubChem CID174725728
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol
SMILESCC1C=CC(O)=CC1(C)N
InChIInChI=1S/C8H13NO/c1-6-3-4-7(10)5-8(6,2)9/h3-6,10H,9H2,1-2H3
InChIKeyRVZVYUNSMCMTSJ-UHFFFAOYSA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol (CID 174725728) is 3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol is CC1C=CC(O)=CC1(C)N.
What is the InChIKey of 3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol?
The InChIKey is RVZVYUNSMCMTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-4-7(10)5-8(6,2)9/h3-6,10H,9H2,1-2H3.
What are the key properties of 3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol?
3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,4-dimethylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 174725728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).