1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol

C9H15NO — CID 78410869

IUPAC1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol
SMILESCC(N)CC1(O)C=CC=CC1
InChIInChI=1S/C9H15NO/c1-8(10)7-9(11)5-3-2-4-6-9/h2-5,8,11H,6-7,10H2,1H3
InChIKeyGEXXKSRVDUNDLK-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.97
Rot. Bonds2

About 1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol

1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol (PubChem CID 78410869) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol
PubChem CID78410869
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol
SMILESCC(N)CC1(O)C=CC=CC1
InChIInChI=1S/C9H15NO/c1-8(10)7-9(11)5-3-2-4-6-9/h2-5,8,11H,6-7,10H2,1H3
InChIKeyGEXXKSRVDUNDLK-UHFFFAOYSA-N
XLogP0.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(-)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
m-Diethyl-aminophenol
CID 69344032
6-Amino-1,5-dimethylcyclohexa-2,4-dien-1-ol
CID 69782313
6-(1-Aminoethyl)cyclohexa-2,4-dien-1-ol
CID 123385340
6-Amino-1,4-diethylcyclohexa-2,4-dien-1-ol
CID 129636273
4-(2-Aminoethyl)cyclohexa-1,5-diene-1,4-diol
CID 129723838
6-(Methylamino)-1-propylcyclohexa-2,4-dien-1-ol
CID 141018529
4-Amino-2-cyclohexa-2,4-dien-1-ylbutan-2-ol
CID 142909451
4-Amino-2-(1-methylcyclohexa-2,4-dien-1-yl)butan-2-ol
CID 142910656
5-Amino-4-methyl-1-propan-2-ylcyclohex-2-en-1-ol
CID 144423340

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol (CID 78410869) is 1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol is CC(N)CC1(O)C=CC=CC1.
What is the InChIKey of 1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is GEXXKSRVDUNDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(10)7-9(11)5-3-2-4-6-9/h2-5,8,11H,6-7,10H2,1H3.
What are the key properties of 1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol?
1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 78410869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).