1-propan-2-yl-4,5-dihydroimidazol-2-amine

C6H13N3 — CID 21054626

IUPAC1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1CCN=C1N
InChIInChI=1S/C6H13N3/c1-5(2)9-4-3-8-6(9)7/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyMPDMEQLGLCDAFF-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.03
Rot. Bonds1

About 1-propan-2-yl-4,5-dihydroimidazol-2-amine

1-propan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 21054626) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-propan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-propan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID21054626
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1CCN=C1N
InChIInChI=1S/C6H13N3/c1-5(2)9-4-3-8-6(9)7/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyMPDMEQLGLCDAFF-UHFFFAOYSA-N
XLogP0.03
TPSA41.62 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 ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-propan-2-yl-4,5-dihydroimidazol-2-amine (CID 21054626) is 1-propan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-propan-2-yl-4,5-dihydroimidazol-2-amine is CC(C)N1CCN=C1N.
What is the InChIKey of 1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is MPDMEQLGLCDAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(2)9-4-3-8-6(9)7/h5H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of 1-propan-2-yl-4,5-dihydroimidazol-2-amine?
1-propan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 127.19 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 21054626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).