1-(1H-imidazol-5-yl)-2-methylpropan-2-amine

C7H13N3 — CID 10419259

IUPAC1-(1H-imidazol-5-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cnc[nH]1
InChIInChI=1S/C7H13N3/c1-7(2,8)3-6-4-9-5-10-6/h4-5H,3,8H2,1-2H3,(H,9,10)
InChIKeyJTZKUGOOSKYHBX-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.69
Rot. Bonds2

About 1-(1H-imidazol-5-yl)-2-methylpropan-2-amine

1-(1H-imidazol-5-yl)-2-methylpropan-2-amine (PubChem CID 10419259) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-2-methylpropan-2-amine
PubChem CID10419259
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-(1H-imidazol-5-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cnc[nH]1
InChIInChI=1S/C7H13N3/c1-7(2,8)3-6-4-9-5-10-6/h4-5H,3,8H2,1-2H3,(H,9,10)
InChIKeyJTZKUGOOSKYHBX-UHFFFAOYSA-N
XLogP0.69
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(1H-imidazol-5-yl)-2-methylpropan-2-amine (CID 10419259) is 1-(1H-imidazol-5-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-2-methylpropan-2-amine?
The InChIKey is JTZKUGOOSKYHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(2,8)3-6-4-9-5-10-6/h4-5H,3,8H2,1-2H3,(H,9,10).
What are the key properties of 1-(1H-imidazol-5-yl)-2-methylpropan-2-amine?
1-(1H-imidazol-5-yl)-2-methylpropan-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 10419259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).