1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol

C11H19NO — CID 70253865

IUPAC1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)C1C=CC=CC1
InChIInChI=1S/C11H19NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-6,10-11,13H,7-9H2,1-2H3
InChIKeyJQKGRHARKXXQLF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.43
Rot. Bonds4

About 1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol

1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol (PubChem CID 70253865) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol
PubChem CID70253865
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)C1C=CC=CC1
InChIInChI=1S/C11H19NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-6,10-11,13H,7-9H2,1-2H3
InChIKeyJQKGRHARKXXQLF-UHFFFAOYSA-N
XLogP1.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol (CID 70253865) is 1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol is CN(C)CCC(O)C1C=CC=CC1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol?
The InChIKey is JQKGRHARKXXQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-6,10-11,13H,7-9H2,1-2H3.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol?
1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 70253865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).