1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol

C10H17NO — CID 89296934

IUPAC1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
SMILESCNCCC(O)C1=CCCC=C1
InChIInChI=1S/C10H17NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h3,5-6,10-12H,2,4,7-8H2,1H3
InChIKeyFUBOWAVBGLQUGL-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.23
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol

1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol (PubChem CID 89296934) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
PubChem CID89296934
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
SMILESCNCCC(O)C1=CCCC=C1
InChIInChI=1S/C10H17NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h3,5-6,10-12H,2,4,7-8H2,1H3
InChIKeyFUBOWAVBGLQUGL-UHFFFAOYSA-N
XLogP1.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol (CID 89296934) is 1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol is CNCCC(O)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol?
The InChIKey is FUBOWAVBGLQUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h3,5-6,10-12H,2,4,7-8H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol?
1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol is sourced from PubChem (CID 89296934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).