N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine

C15H29N3 — CID 55138699

IUPACN-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine
SMILESCC(C)c1nccn1C(CNC(C)(C)C)C(C)C
InChIInChI=1S/C15H29N3/c1-11(2)13(10-17-15(5,6)7)18-9-8-16-14(18)12(3)4/h8-9,11-13,17H,10H2,1-7H3
InChIKeyHLMXEZUKQZHUDL-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.59
Rot. Bonds5

About N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine

N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine (PubChem CID 55138699) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine
PubChem CID55138699
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine
SMILESCC(C)c1nccn1C(CNC(C)(C)C)C(C)C
InChIInChI=1S/C15H29N3/c1-11(2)13(10-17-15(5,6)7)18-9-8-16-14(18)12(3)4/h8-9,11-13,17H,10H2,1-7H3
InChIKeyHLMXEZUKQZHUDL-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine
CID 55072805
1-butan-2-yl-2-propan-2-ylimidazole
CID 122705380
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine
CID 62447771
N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine
CID 62564290
1-pentan-2-yl-2-propan-2-ylimidazole
CID 122705417
N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine
CID 62563884
N-tert-butyl-3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-amine
CID 62442348
2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide
CID 64704254
N-tert-butyl-2-(2-propylimidazol-1-yl)pentan-1-amine
CID 83044065
N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 62562131
methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate
CID 64704256
1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole
CID 163475933

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine (CID 55138699) is N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine is CC(C)c1nccn1C(CNC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine?
The InChIKey is HLMXEZUKQZHUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-11(2)13(10-17-15(5,6)7)18-9-8-16-14(18)12(3)4/h8-9,11-13,17H,10H2,1-7H3.
What are the key properties of N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine?
N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.59, 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-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine is sourced from PubChem (CID 55138699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).