6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol

C10H17NO — CID 154156951

IUPAC6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)CC1(O)C=CC=CC1N
InChIInChI=1S/C10H17NO/c1-8(2)7-10(12)6-4-3-5-9(10)11/h3-6,8-9,12H,7,11H2,1-2H3
InChIKeyMUIDDOLBYFDCNZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.22
Rot. Bonds2

About 6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol

6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol (PubChem CID 154156951) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol
PubChem CID154156951
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)CC1(O)C=CC=CC1N
InChIInChI=1S/C10H17NO/c1-8(2)7-10(12)6-4-3-5-9(10)11/h3-6,8-9,12H,7,11H2,1-2H3
InChIKeyMUIDDOLBYFDCNZ-UHFFFAOYSA-N
XLogP1.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-cyclohexa-2,4-dien-1-yl-3-(methylamino)butan-2-ol
CID 129630658
(-)3,4-Di-hydrooxynorephedrine
CID 129818855
(R*,R*)-(1)-alpha-(1-Aminoethyl)benzyl alcohol hydrochloride
CID 6451279
(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol;hydron;chloride
CID 146677614
5-(Aminomethyl)-1,6-dimethylcyclohexa-2,4-dien-1-ol
CID 68132702
4-[(2S)-2-amino-3-methylbut-3-enyl]cyclohexa-1,5-dien-1-ol
CID 68397503
m-Diethyl-aminophenol
CID 69344032
6-Amino-1,5-dimethylcyclohexa-2,4-dien-1-ol
CID 69782313
1-(2-Aminopropyl)cyclohexa-2,4-dien-1-ol
CID 78410869
2-Amino-1,1-di(cyclohexa-2,4-dien-1-yl)propan-1-ol
CID 124001574
6-Amino-1,4-diethylcyclohexa-2,4-dien-1-ol
CID 129636273
6-(Methylamino)-1-propylcyclohexa-2,4-dien-1-ol
CID 141018529

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol (CID 154156951) is 6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol is CC(C)CC1(O)C=CC=CC1N.
What is the InChIKey of 6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is MUIDDOLBYFDCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)7-10(12)6-4-3-5-9(10)11/h3-6,8-9,12H,7,11H2,1-2H3.
What are the key properties of 6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol?
6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154156951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).