(6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol

C8H13NO — CID 77174818

IUPAC(6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1(N)C=CC=CC1CO
InChIInChI=1S/C8H13NO/c1-8(9)5-3-2-4-7(8)6-10/h2-5,7,10H,6,9H2,1H3
InChIKeyVANSWOYYSKMJJN-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.44
Rot. Bonds1

About (6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol

(6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 77174818) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID77174818
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1(N)C=CC=CC1CO
InChIInChI=1S/C8H13NO/c1-8(9)5-3-2-4-7(8)6-10/h2-5,7,10H,6,9H2,1H3
InChIKeyVANSWOYYSKMJJN-UHFFFAOYSA-N
XLogP0.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol (CID 77174818) is (6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol is CC1(N)C=CC=CC1CO.
What is the InChIKey of (6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is VANSWOYYSKMJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(9)5-3-2-4-7(8)6-10/h2-5,7,10H,6,9H2,1H3.
What are the key properties of (6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol?
(6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 139.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-6-methylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 77174818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).