N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine

C12H23N3 — CID 114996105

IUPACN-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine
SMILESCCc1nc(CCNC(C)(C)C)[nH]c1C
InChIInChI=1S/C12H23N3/c1-6-10-9(2)14-11(15-10)7-8-13-12(3,4)5/h13H,6-8H2,1-5H3,(H,14,15)
InChIKeyCJJGMIMDKVKAER-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine

N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 114996105) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine
PubChem CID114996105
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine
SMILESCCc1nc(CCNC(C)(C)C)[nH]c1C
InChIInChI=1S/C12H23N3/c1-6-10-9(2)14-11(15-10)7-8-13-12(3,4)5/h13H,6-8H2,1-5H3,(H,14,15)
InChIKeyCJJGMIMDKVKAER-UHFFFAOYSA-N
XLogP2.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine (CID 114996105) is N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine is CCc1nc(CCNC(C)(C)C)[nH]c1C.
What is the InChIKey of N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is CJJGMIMDKVKAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-10-9(2)14-11(15-10)7-8-13-12(3,4)5/h13H,6-8H2,1-5H3,(H,14,15).
What are the key properties of N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-5-methyl-1H-imidazol-2-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114996105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).