5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol

C14H26N2O — CID 115838049

IUPAC5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol
SMILESCC(CC(O)CCc1nccn1C)C(C)(C)C
InChIInChI=1S/C14H26N2O/c1-11(14(2,3)4)10-12(17)6-7-13-15-8-9-16(13)5/h8-9,11-12,17H,6-7,10H2,1-5H3
InChIKeyCUEHKHNHYSDBPW-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.79
Rot. Bonds5

About 5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol

5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol (PubChem CID 115838049) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol.

Molecular Properties

Compound Name5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol
PubChem CID115838049
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol
SMILESCC(CC(O)CCc1nccn1C)C(C)(C)C
InChIInChI=1S/C14H26N2O/c1-11(14(2,3)4)10-12(17)6-7-13-15-8-9-16(13)5/h8-9,11-12,17H,6-7,10H2,1-5H3
InChIKeyCUEHKHNHYSDBPW-UHFFFAOYSA-N
XLogP2.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-yl]hydrazine
CID 105340442
4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol
CID 105130936
4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
CID 114532622
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
1-chloro-1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529850
3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine
CID 114531574
1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529701
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574

Frequently Asked Questions

What is the IUPAC name of 5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol?
The IUPAC name of 5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol (CID 115838049) is 5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol.
What is the SMILES notation for 5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol?
The canonical SMILES for 5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol is CC(CC(O)CCc1nccn1C)C(C)(C)C.
What is the InChIKey of 5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol?
The InChIKey is CUEHKHNHYSDBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(14(2,3)4)10-12(17)6-7-13-15-8-9-16(13)5/h8-9,11-12,17H,6-7,10H2,1-5H3.
What are the key properties of 5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol?
5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol has a molecular weight of 238.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol is sourced from PubChem (CID 115838049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).