trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine

C6H9N3 — CID 10103168

IUPACtrans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1cnc[nH]1
InChIInChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1
InChIKeyOWWNABDDYQLERE-RFZPGFLSSA-N
MW123.16 g/mol
LogP0.22
Rot. Bonds1

About trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine

trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine (PubChem CID 10103168) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine
PubChem CID10103168
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Nametrans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1cnc[nH]1
InChIInChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1
InChIKeyOWWNABDDYQLERE-RFZPGFLSSA-N
XLogP0.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine (CID 10103168) is trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine is N[C@@H]1C[C@H]1c1cnc[nH]1.
What is the InChIKey of trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine?
The InChIKey is OWWNABDDYQLERE-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine?
trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine has a molecular weight of 123.16 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 10103168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).