2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol

C9H15NO — CID 145025621

IUPAC2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol
SMILESCN(C)CC1=C(O)CCC=C1
InChIInChI=1S/C9H15NO/c1-10(2)7-8-5-3-4-6-9(8)11/h3,5,11H,4,6-7H2,1-2H3
InChIKeyHTXFTNFFFQSZSZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.71
Rot. Bonds2

About 2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol

2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol (PubChem CID 145025621) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol
PubChem CID145025621
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol
SMILESCN(C)CC1=C(O)CCC=C1
InChIInChI=1S/C9H15NO/c1-10(2)7-8-5-3-4-6-9(8)11/h3,5,11H,4,6-7H2,1-2H3
InChIKeyHTXFTNFFFQSZSZ-UHFFFAOYSA-N
XLogP1.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Dimethylamino)cyclohexa-1,3-dien-1-ol
CID 138392229
6-(Dimethylamino)-6-methylcyclohexa-1,3-dien-1-ol
CID 69935690
2,6-Bis[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol
CID 69993008
6-(Dimethylaminomethylidene)cyclohexa-1,3-dien-1-ol
CID 88456862
(4E)-4-methyl-6-[[methyl(propyl)amino]methyl]hepta-1,4,6-trien-2-ol
CID 89659199
(2E)-4-[(dimethylamino)methyl]penta-2,4-dien-2-ol
CID 132096079
5-(Dimethylaminomethylidene)-6-ethenylcyclohexa-1,3-dien-1-ol
CID 140399023
6-(Diethylamino)-3-methylcyclohexa-1,3-dien-1-ol
CID 142862938
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 143205447
3-(Methylaminomethyl)cyclohexa-1,3-dien-1-ol
CID 143349340
4-[2-(Dimethylamino)ethyl]cyclohepta-1,3,5-trien-1-ol
CID 145631408
4-[2-(Dimethylamino)ethylidene]cyclohexa-1,5-dien-1-ol
CID 152643117

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol (CID 145025621) is 2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol is CN(C)CC1=C(O)CCC=C1.
What is the InChIKey of 2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol?
The InChIKey is HTXFTNFFFQSZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10(2)7-8-5-3-4-6-9(8)11/h3,5,11H,4,6-7H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol?
2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 145025621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).