N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine

C8H15N3 — CID 167341650

IUPACN-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1=NCC=N1
InChIInChI=1S/C8H15N3/c1-8(2,3)11-6-7-9-4-5-10-7/h4,11H,5-6H2,1-3H3
InChIKeyZMMLJIRDYNSBGP-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.86
Rot. Bonds2

About N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine

N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine (PubChem CID 167341650) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine
PubChem CID167341650
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1=NCC=N1
InChIInChI=1S/C8H15N3/c1-8(2,3)11-6-7-9-4-5-10-7/h4,11H,5-6H2,1-3H3
InChIKeyZMMLJIRDYNSBGP-UHFFFAOYSA-N
XLogP0.86
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine (CID 167341650) is N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine is CC(C)(C)NCC1=NCC=N1.
What is the InChIKey of N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine?
The InChIKey is ZMMLJIRDYNSBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(2,3)11-6-7-9-4-5-10-7/h4,11H,5-6H2,1-3H3.
What are the key properties of N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine?
N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-imidazol-2-ylmethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 167341650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).