(4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine

C9H17N3 — CID 82373832

IUPAC(4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine
SMILESCc1nc(C(C)(C)C)c(CN)[nH]1
InChIInChI=1S/C9H17N3/c1-6-11-7(5-10)8(12-6)9(2,3)4/h5,10H2,1-4H3,(H,11,12)
InChIKeyTUAWUSYQZFMTDZ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.47
Rot. Bonds1

About (4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine

(4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine (PubChem CID 82373832) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine
PubChem CID82373832
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine
SMILESCc1nc(C(C)(C)C)c(CN)[nH]1
InChIInChI=1S/C9H17N3/c1-6-11-7(5-10)8(12-6)9(2,3)4/h5,10H2,1-4H3,(H,11,12)
InChIKeyTUAWUSYQZFMTDZ-UHFFFAOYSA-N
XLogP1.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine?
The IUPAC name of (4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine (CID 82373832) is (4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for (4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for (4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine is Cc1nc(C(C)(C)C)c(CN)[nH]1.
What is the InChIKey of (4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine?
The InChIKey is TUAWUSYQZFMTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6-11-7(5-10)8(12-6)9(2,3)4/h5,10H2,1-4H3,(H,11,12).
What are the key properties of (4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine?
(4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine has a molecular weight of 167.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 82373832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).