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

C14H27N3 — CID 55072805

IUPACN-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine
SMILESCCc1nccn1C(CNC(C)(C)C)C(C)C
InChIInChI=1S/C14H27N3/c1-7-13-15-8-9-17(13)12(11(2)3)10-16-14(4,5)6/h8-9,11-12,16H,7,10H2,1-6H3
InChIKeyNTRMNLHVAOIWGI-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.03
Rot. Bonds5

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

N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine (PubChem CID 55072805) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine
PubChem CID55072805
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine
SMILESCCc1nccn1C(CNC(C)(C)C)C(C)C
InChIInChI=1S/C14H27N3/c1-7-13-15-8-9-17(13)12(11(2)3)10-16-14(4,5)6/h8-9,11-12,16H,7,10H2,1-6H3
InChIKeyNTRMNLHVAOIWGI-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine (CID 55072805) is N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine is CCc1nccn1C(CNC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine?
The InChIKey is NTRMNLHVAOIWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-13-15-8-9-17(13)12(11(2)3)10-16-14(4,5)6/h8-9,11-12,16H,7,10H2,1-6H3.
What are the key properties of N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine?
N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 55072805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).