1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol

C10H17NO — CID 70183050

IUPAC1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
SMILESCNC(C)C(O)C1C=CC=CC1
InChIInChI=1S/C10H17NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-6,8-12H,7H2,1-2H3
InChIKeyOIVSXEICSUNZHR-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.09
Rot. Bonds3

About 1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol

1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol (PubChem CID 70183050) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
PubChem CID70183050
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
SMILESCNC(C)C(O)C1C=CC=CC1
InChIInChI=1S/C10H17NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-6,8-12H,7H2,1-2H3
InChIKeyOIVSXEICSUNZHR-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4R)-2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3-methylpiperidin-4-ol
CID 101887637
(-)-Pseudoephedrinhydrochlorid
CID 129629514
(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
Pseudoephedrine chloride
CID 129648353
(1S,2S)-1-cyclohexa-2,4-dien-1-yl-2-(dimethylamino)propan-1-ol
CID 129650447
(1s,2s)-Pseudoephedrine hydrochloride
CID 129847299
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
1-[(2-Methylcyclohexyl)amino]hex-5-EN-2-OL
CID 86797547
(2S)-3-(4-fluorocyclohexa-2,4-dien-1-yl)-2-(methylamino)propan-1-ol
CID 70320951
4,4,4-Trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol
CID 171555966
(1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol
CID 102264627

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol (CID 70183050) is 1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol is CNC(C)C(O)C1C=CC=CC1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol?
The InChIKey is OIVSXEICSUNZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-6,8-12H,7H2,1-2H3.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol?
1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 70183050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).