N,2-diethyl-5-methyl-1H-imidazol-4-amine

C8H15N3 — CID 57230131

IUPACN,2-diethyl-5-methyl-1H-imidazol-4-amine
SMILESCCNc1nc(CC)[nH]c1C
InChIInChI=1S/C8H15N3/c1-4-7-10-6(3)8(11-7)9-5-2/h9H,4-5H2,1-3H3,(H,10,11)
InChIKeyZPFAENQRIBKBBQ-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.71
Rot. Bonds3

About N,2-diethyl-5-methyl-1H-imidazol-4-amine

N,2-diethyl-5-methyl-1H-imidazol-4-amine (PubChem CID 57230131) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N,2-diethyl-5-methyl-1H-imidazol-4-amine.

Molecular Properties

Compound NameN,2-diethyl-5-methyl-1H-imidazol-4-amine
PubChem CID57230131
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN,2-diethyl-5-methyl-1H-imidazol-4-amine
SMILESCCNc1nc(CC)[nH]c1C
InChIInChI=1S/C8H15N3/c1-4-7-10-6(3)8(11-7)9-5-2/h9H,4-5H2,1-3H3,(H,10,11)
InChIKeyZPFAENQRIBKBBQ-UHFFFAOYSA-N
XLogP1.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5-methyl-1H-imidazol-4-amine?
The IUPAC name of N,2-diethyl-5-methyl-1H-imidazol-4-amine (CID 57230131) is N,2-diethyl-5-methyl-1H-imidazol-4-amine.
What is the SMILES notation for N,2-diethyl-5-methyl-1H-imidazol-4-amine?
The canonical SMILES for N,2-diethyl-5-methyl-1H-imidazol-4-amine is CCNc1nc(CC)[nH]c1C.
What is the InChIKey of N,2-diethyl-5-methyl-1H-imidazol-4-amine?
The InChIKey is ZPFAENQRIBKBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-7-10-6(3)8(11-7)9-5-2/h9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N,2-diethyl-5-methyl-1H-imidazol-4-amine?
N,2-diethyl-5-methyl-1H-imidazol-4-amine has a molecular weight of 153.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5-methyl-1H-imidazol-4-amine is sourced from PubChem (CID 57230131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).