6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol

C10H17NO — CID 141018529

IUPAC6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol
SMILESCCCC1(O)C=CC=CC1NC
InChIInChI=1S/C10H17NO/c1-3-7-10(12)8-5-4-6-9(10)11-2/h4-6,8-9,11-12H,3,7H2,1-2H3
InChIKeyMBTINYNNBOMWPX-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.23
Rot. Bonds3

About 6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol

6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol (PubChem CID 141018529) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol
PubChem CID141018529
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol
SMILESCCCC1(O)C=CC=CC1NC
InChIInChI=1S/C10H17NO/c1-3-7-10(12)8-5-4-6-9(10)11-2/h4-6,8-9,11-12H,3,7H2,1-2H3
InChIKeyMBTINYNNBOMWPX-UHFFFAOYSA-N
XLogP1.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4aR,5E,7aR)-5-[(E)-but-2-enylidene]-2,3,4,7a-tetrahydro-1H-cyclopenta[b]pyridin-4a-ol
CID 163188785
(1S,2S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
CID 129629515
(2S,3S)-2-cyclohexa-2,4-dien-1-yl-3-(methylamino)butan-2-ol
CID 129630658
4-Methyl-alpha-ethyl-methyl-tyramine
CID 129705387
1-(Cyclohexylamino)-2-phenylpropan-2-ol;yttrium
CID 134974548
(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
1-Cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
CID 70183050
1-(2-Aminopropyl)cyclohexa-2,4-dien-1-ol
CID 78410869
4-(1,2-Dihydropyridin-2-yl)heptan-4-ol
CID 90321130
6-[(1S,2S)-1-hydroxy-2-(methylamino)propyl]cyclohexa-2,4-dien-1-ol
CID 140516185

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol (CID 141018529) is 6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol is CCCC1(O)C=CC=CC1NC.
What is the InChIKey of 6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol?
The InChIKey is MBTINYNNBOMWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-7-10(12)8-5-4-6-9(10)11-2/h4-6,8-9,11-12H,3,7H2,1-2H3.
What are the key properties of 6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol?
6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-1-propylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 141018529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).