2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol

C10H17NO — CID 143199619

IUPAC2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CCC(O)C(CN(C)C)=C1
InChIInChI=1S/C10H17NO/c1-8-4-5-10(12)9(6-8)7-11(2)3/h4,6,10,12H,5,7H2,1-3H3
InChIKeyBALMADJWEPHAPN-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.19
Rot. Bonds2

About 2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol

2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol (PubChem CID 143199619) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol
PubChem CID143199619
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CCC(O)C(CN(C)C)=C1
InChIInChI=1S/C10H17NO/c1-8-4-5-10(12)9(6-8)7-11(2)3/h4,6,10,12H,5,7H2,1-3H3
InChIKeyBALMADJWEPHAPN-UHFFFAOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44368115
2-(N,N-diethylaminomethyl)-2,4-dimethylphenol
CID 129706337
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol
CID 59861747
(1S)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanol
CID 68027026
6-[(Dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol
CID 69195747
6-(Diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 70397430
3-[4-(Dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol
CID 71286528
1-Cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
(3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol
CID 89340754
(3S,6R)-6-ethyl-1-methyl-4-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-3-ol
CID 117945283
6-[(Dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol
CID 118368980
4-Ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 123772804

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol (CID 143199619) is 2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol is CC1=CCC(O)C(CN(C)C)=C1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is BALMADJWEPHAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-4-5-10(12)9(6-8)7-11(2)3/h4,6,10,12H,5,7H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol?
2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 143199619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).