2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol

C16H31N3O — CID 175760872

IUPAC2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol
SMILESCN(C)CC1=CC(CN(C)C)=C(O)C(C)(CN(C)C)C1
InChIInChI=1S/C16H31N3O/c1-16(12-19(6)7)9-13(10-17(2)3)8-14(15(16)20)11-18(4)5/h8,20H,9-12H2,1-7H3
InChIKeyUTWGKBXTLBLXPQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.82
Rot. Bonds6

About 2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol

2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 175760872) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID175760872
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol
SMILESCN(C)CC1=CC(CN(C)C)=C(O)C(C)(CN(C)C)C1
InChIInChI=1S/C16H31N3O/c1-16(12-19(6)7)9-13(10-17(2)3)8-14(15(16)20)11-18(4)5/h8,20H,9-12H2,1-7H3
InChIKeyUTWGKBXTLBLXPQ-UHFFFAOYSA-N
XLogP1.82
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol (CID 175760872) is 2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol is CN(C)CC1=CC(CN(C)C)=C(O)C(C)(CN(C)C)C1.
What is the InChIKey of 2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is UTWGKBXTLBLXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(12-19(6)7)9-13(10-17(2)3)8-14(15(16)20)11-18(4)5/h8,20H,9-12H2,1-7H3.
What are the key properties of 2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol?
2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 281.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 175760872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).