N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine

C6H13N3 — CID 18728196

IUPACN-ethyl-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCCNC1=NCCN1C
InChIInChI=1S/C6H13N3/c1-3-7-6-8-4-5-9(6)2/h3-5H2,1-2H3,(H,7,8)
InChIKeyKIXYXWPVTUFQAV-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.10
Rot. Bonds1

About N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine

N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 18728196) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID18728196
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-ethyl-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCCNC1=NCCN1C
InChIInChI=1S/C6H13N3/c1-3-7-6-8-4-5-9(6)2/h3-5H2,1-2H3,(H,7,8)
InChIKeyKIXYXWPVTUFQAV-UHFFFAOYSA-N
XLogP-0.10
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine (CID 18728196) is N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine is CCNC1=NCCN1C.
What is the InChIKey of N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is KIXYXWPVTUFQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-7-6-8-4-5-9(6)2/h3-5H2,1-2H3,(H,7,8).
What are the key properties of N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine?
N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 127.19 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 18728196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).