3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol

C12H23N3O — CID 115901187

IUPAC3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol
SMILESCC(NCC(C)(C)CCO)c1nccn1C
InChIInChI=1S/C12H23N3O/c1-10(11-13-6-7-15(11)4)14-9-12(2,3)5-8-16/h6-7,10,14,16H,5,8-9H2,1-4H3
InChIKeyHQJVDOIOIOHULK-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.48
Rot. Bonds6

About 3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol

3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol (PubChem CID 115901187) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol
PubChem CID115901187
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol
SMILESCC(NCC(C)(C)CCO)c1nccn1C
InChIInChI=1S/C12H23N3O/c1-10(11-13-6-7-15(11)4)14-9-12(2,3)5-8-16/h6-7,10,14,16H,5,8-9H2,1-4H3
InChIKeyHQJVDOIOIOHULK-UHFFFAOYSA-N
XLogP1.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol
CID 66169614
2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol
CID 104860530
4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol
CID 103913976
4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
tert-butyl N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913862
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115725802
5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
CID 106234642
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 107270667
tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913871

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol (CID 115901187) is 3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol is CC(NCC(C)(C)CCO)c1nccn1C.
What is the InChIKey of 3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol?
The InChIKey is HQJVDOIOIOHULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(11-13-6-7-15(11)4)14-9-12(2,3)5-8-16/h6-7,10,14,16H,5,8-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol?
3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 115901187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).