(1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine

C12H19N5 — CID 104943977

IUPAC(1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CCCc1ncc[nH]1
InChIInChI=1S/C12H19N5/c1-2-10(13)11-8-14-9-17(11)7-3-4-12-15-5-6-16-12/h5-6,8-10H,2-4,7,13H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyMANONNJJSDOVSY-SNVBAGLBSA-N
MW233.32 g/mol
LogP1.65
Rot. Bonds6

About (1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine

(1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine (PubChem CID 104943977) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is (1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine
PubChem CID104943977
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name(1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CCCc1ncc[nH]1
InChIInChI=1S/C12H19N5/c1-2-10(13)11-8-14-9-17(11)7-3-4-12-15-5-6-16-12/h5-6,8-10H,2-4,7,13H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyMANONNJJSDOVSY-SNVBAGLBSA-N
XLogP1.65
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine (CID 104943977) is (1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1CCCc1ncc[nH]1.
What is the InChIKey of (1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine?
The InChIKey is MANONNJJSDOVSY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N5/c1-2-10(13)11-8-14-9-17(11)7-3-4-12-15-5-6-16-12/h5-6,8-10H,2-4,7,13H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104943977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).