4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol

C15H29N3O — CID 79761465

IUPAC4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol
SMILESCCCn1ccnc1CC(C)(O)CCNC(C)(C)C
InChIInChI=1S/C15H29N3O/c1-6-10-18-11-9-16-13(18)12-15(5,19)7-8-17-14(2,3)4/h9,11,17,19H,6-8,10,12H2,1-5H3
InChIKeyHZYRKZLHHAFCCE-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.36
Rot. Bonds7

About 4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol

4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol (PubChem CID 79761465) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol
PubChem CID79761465
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol
SMILESCCCn1ccnc1CC(C)(O)CCNC(C)(C)C
InChIInChI=1S/C15H29N3O/c1-6-10-18-11-9-16-13(18)12-15(5,19)7-8-17-14(2,3)4/h9,11,17,19H,6-8,10,12H2,1-5H3
InChIKeyHZYRKZLHHAFCCE-UHFFFAOYSA-N
XLogP2.36
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
CID 116535799
4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol
CID 79760958
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 114228321
2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744402
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
2-(2,5-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744677
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylimidazol-2-yl)methanamine
CID 82720219
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718
3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one
CID 62927325

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol (CID 79761465) is 4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol is CCCn1ccnc1CC(C)(O)CCNC(C)(C)C.
What is the InChIKey of 4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol?
The InChIKey is HZYRKZLHHAFCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-10-18-11-9-16-13(18)12-15(5,19)7-8-17-14(2,3)4/h9,11,17,19H,6-8,10,12H2,1-5H3.
What are the key properties of 4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol?
4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol has a molecular weight of 267.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 79761465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).