2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine

C11H21N3 — CID 102970100

IUPAC2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine
SMILESCCc1nc(C(C)(C)NC)[nH]c1CC
InChIInChI=1S/C11H21N3/c1-6-8-9(7-2)14-10(13-8)11(3,4)12-5/h12H,6-7H2,1-5H3,(H,13,14)
InChIKeyXKMLCJTUTDZXMG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.99
Rot. Bonds4

About 2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine

2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine (PubChem CID 102970100) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine
PubChem CID102970100
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine
SMILESCCc1nc(C(C)(C)NC)[nH]c1CC
InChIInChI=1S/C11H21N3/c1-6-8-9(7-2)14-10(13-8)11(3,4)12-5/h12H,6-7H2,1-5H3,(H,13,14)
InChIKeyXKMLCJTUTDZXMG-UHFFFAOYSA-N
XLogP1.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine
CID 14712111
5-Ethyl-4-methyl-1H-imidazol-2-amine
CID 64981566
2-Amino-5-methylhistamine
CID 145977
4-ethyl-5-methyl-1H-imidazole
CID 207292
5-methyl-4-propan-2-yl-1H-imidazole
CID 207335
1H-Benzimidazole, 2-butyl-4,5,6,7-tetrahydro-
CID 10511534
4,5-Diethyl-1H-imidazole
CID 12593759
4,5-Dipropyl-1H-imidazole
CID 12593760
5-Ethylhistamine
CID 12615455
Diisopropyl imidazole
CID 12646374
5-Methyl-4-pentyl-1H-imidazole
CID 13807292
4-Methyl-5-butylimidazole
CID 14787206

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine (CID 102970100) is 2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine is CCc1nc(C(C)(C)NC)[nH]c1CC.
What is the InChIKey of 2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine?
The InChIKey is XKMLCJTUTDZXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-8-9(7-2)14-10(13-8)11(3,4)12-5/h12H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine?
2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diethyl-1H-imidazol-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 102970100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).