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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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).