1-(2-aminoethyl)-2-methylimidazol-4-amine

C6H12N4 — CID 140552269

IUPAC1-(2-aminoethyl)-2-methylimidazol-4-amine
SMILESCc1nc(N)cn1CCN
InChIInChI=1S/C6H12N4/c1-5-9-6(8)4-10(5)3-2-7/h4H,2-3,7-8H2,1H3
InChIKeyCJLBTNUZOALRJY-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.27
Rot. Bonds2

About 1-(2-aminoethyl)-2-methylimidazol-4-amine

1-(2-aminoethyl)-2-methylimidazol-4-amine (PubChem CID 140552269) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-methylimidazol-4-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-methylimidazol-4-amine
PubChem CID140552269
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-(2-aminoethyl)-2-methylimidazol-4-amine
SMILESCc1nc(N)cn1CCN
InChIInChI=1S/C6H12N4/c1-5-9-6(8)4-10(5)3-2-7/h4H,2-3,7-8H2,1H3
InChIKeyCJLBTNUZOALRJY-UHFFFAOYSA-N
XLogP-0.27
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-methylimidazol-4-amine?
The IUPAC name of 1-(2-aminoethyl)-2-methylimidazol-4-amine (CID 140552269) is 1-(2-aminoethyl)-2-methylimidazol-4-amine.
What is the SMILES notation for 1-(2-aminoethyl)-2-methylimidazol-4-amine?
The canonical SMILES for 1-(2-aminoethyl)-2-methylimidazol-4-amine is Cc1nc(N)cn1CCN.
What is the InChIKey of 1-(2-aminoethyl)-2-methylimidazol-4-amine?
The InChIKey is CJLBTNUZOALRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5-9-6(8)4-10(5)3-2-7/h4H,2-3,7-8H2,1H3.
What are the key properties of 1-(2-aminoethyl)-2-methylimidazol-4-amine?
1-(2-aminoethyl)-2-methylimidazol-4-amine has a molecular weight of 140.19 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-methylimidazol-4-amine is sourced from PubChem (CID 140552269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).