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

C15H29N3O — CID 139643443

IUPAC1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol
SMILESCN(C)CC1=CC=CC(CN(C)C)C1(O)CN(C)C
InChIInChI=1S/C15H29N3O/c1-16(2)10-13-8-7-9-14(11-17(3)4)15(13,19)12-18(5)6/h7-9,13,19H,10-12H2,1-6H3
InChIKeyBVIUVGWFVAIMKR-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.51
Rot. Bonds6

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

1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol (PubChem CID 139643443) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol
PubChem CID139643443
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol
SMILESCN(C)CC1=CC=CC(CN(C)C)C1(O)CN(C)C
InChIInChI=1S/C15H29N3O/c1-16(2)10-13-8-7-9-14(11-17(3)4)15(13,19)12-18(5)6/h7-9,13,19H,10-12H2,1-6H3
InChIKeyBVIUVGWFVAIMKR-UHFFFAOYSA-N
XLogP0.51
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol (CID 139643443) is 1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol is CN(C)CC1=CC=CC(CN(C)C)C1(O)CN(C)C.
What is the InChIKey of 1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is BVIUVGWFVAIMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-16(2)10-13-8-7-9-14(11-17(3)4)15(13,19)12-18(5)6/h7-9,13,19H,10-12H2,1-6H3.
What are the key properties of 1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol?
1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol has a molecular weight of 267.42 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-tris[(dimethylamino)methyl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 139643443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).