N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine

C14H27N3 — CID 81034890

IUPACN-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine
SMILESCCn1ccnc1C(C)(C)CCNC(C)(C)C
InChIInChI=1S/C14H27N3/c1-7-17-11-10-15-12(17)14(5,6)8-9-16-13(2,3)4/h10-11,16H,7-9H2,1-6H3
InChIKeyWWNJIRUWFDJMGR-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.96
Rot. Bonds5

About N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine

N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine (PubChem CID 81034890) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine
PubChem CID81034890
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine
SMILESCCn1ccnc1C(C)(C)CCNC(C)(C)C
InChIInChI=1S/C14H27N3/c1-7-17-11-10-15-12(17)14(5,6)8-9-16-13(2,3)4/h10-11,16H,7-9H2,1-6H3
InChIKeyWWNJIRUWFDJMGR-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine
CID 81023446
3-methyl-N-propan-2-yl-3-(1-propylimidazol-2-yl)butan-1-amine
CID 81023557
2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol
CID 66038409
4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 79761465
2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile
CID 130544225
N-[[2-(1-ethylimidazol-2-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021832
1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 115475677
4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol
CID 79760958
4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol
CID 83075627
2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
CID 113326667
2-methyl-N-[2-(2-nitroimidazol-1-yl)ethyl]propan-2-amine
CID 164724280
1-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanol
CID 63975624

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine (CID 81034890) is N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine is CCn1ccnc1C(C)(C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine?
The InChIKey is WWNJIRUWFDJMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-17-11-10-15-12(17)14(5,6)8-9-16-13(2,3)4/h10-11,16H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine?
N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 81034890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).