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

C8H15N3 — CID 43649269

IUPAC(5-tert-butyl-1H-imidazol-2-yl)methanamine
SMILESCC(C)(C)c1cnc(CN)[nH]1
InChIInChI=1S/C8H15N3/c1-8(2,3)6-5-10-7(4-9)11-6/h5H,4,9H2,1-3H3,(H,10,11)
InChIKeySWVSTPWBXGBAFG-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.17
Rot. Bonds1

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

(5-tert-butyl-1H-imidazol-2-yl)methanamine (PubChem CID 43649269) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (5-tert-butyl-1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1H-imidazol-2-yl)methanamine
PubChem CID43649269
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(5-tert-butyl-1H-imidazol-2-yl)methanamine
SMILESCC(C)(C)c1cnc(CN)[nH]1
InChIInChI=1S/C8H15N3/c1-8(2,3)6-5-10-7(4-9)11-6/h5H,4,9H2,1-3H3,(H,10,11)
InChIKeySWVSTPWBXGBAFG-UHFFFAOYSA-N
XLogP1.17
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-imidazol-2-yl)methanamine?
The IUPAC name of (5-tert-butyl-1H-imidazol-2-yl)methanamine (CID 43649269) is (5-tert-butyl-1H-imidazol-2-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-1H-imidazol-2-yl)methanamine?
The canonical SMILES for (5-tert-butyl-1H-imidazol-2-yl)methanamine is CC(C)(C)c1cnc(CN)[nH]1.
What is the InChIKey of (5-tert-butyl-1H-imidazol-2-yl)methanamine?
The InChIKey is SWVSTPWBXGBAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(2,3)6-5-10-7(4-9)11-6/h5H,4,9H2,1-3H3,(H,10,11).
What are the key properties of (5-tert-butyl-1H-imidazol-2-yl)methanamine?
(5-tert-butyl-1H-imidazol-2-yl)methanamine has a molecular weight of 153.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 43649269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).