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

C13H25N3O — CID 103913976

IUPAC4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol
SMILESCC(NCC(O)CC(C)(C)C)c1nccn1C
InChIInChI=1S/C13H25N3O/c1-10(12-14-6-7-16(12)5)15-9-11(17)8-13(2,3)4/h6-7,10-11,15,17H,8-9H2,1-5H3
InChIKeyOJLWNWJDZSHUAP-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.87
Rot. Bonds5

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

4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol (PubChem CID 103913976) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol
PubChem CID103913976
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol
SMILESCC(NCC(O)CC(C)(C)C)c1nccn1C
InChIInChI=1S/C13H25N3O/c1-10(12-14-6-7-16(12)5)15-9-11(17)8-13(2,3)4/h6-7,10-11,15,17H,8-9H2,1-5H3
InChIKeyOJLWNWJDZSHUAP-UHFFFAOYSA-N
XLogP1.87
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol
CID 107151567
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
3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol
CID 115901187
2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol
CID 104860530
4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol
CID 103910844
tert-butyl N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913862
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide
CID 106335969

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol (CID 103913976) is 4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol is CC(NCC(O)CC(C)(C)C)c1nccn1C.
What is the InChIKey of 4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol?
The InChIKey is OJLWNWJDZSHUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(12-14-6-7-16(12)5)15-9-11(17)8-13(2,3)4/h6-7,10-11,15,17H,8-9H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol?
4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 103913976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).