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

C10H17NO — CID 118368980

IUPAC6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(CN(C)C)C(O)C=C1
InChIInChI=1S/C10H17NO/c1-8-4-5-10(12)9(6-8)7-11(2)3/h4-6,9-10,12H,7H2,1-3H3
InChIKeyPCFXDWCUNAMSKJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.04
Rot. Bonds2

About 6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol

6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol (PubChem CID 118368980) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol
PubChem CID118368980
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(CN(C)C)C(O)C=C1
InChIInChI=1S/C10H17NO/c1-8-4-5-10(12)9(6-8)7-11(2)3/h4-6,9-10,12H,7H2,1-3H3
InChIKeyPCFXDWCUNAMSKJ-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol (CID 118368980) is 6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol is CC1=CC(CN(C)C)C(O)C=C1.
What is the InChIKey of 6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is PCFXDWCUNAMSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-4-5-10(12)9(6-8)7-11(2)3/h4-6,9-10,12H,7H2,1-3H3.
What are the key properties of 6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol?
6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 118368980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).