(1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine

C13H24N4O — CID 104942116

IUPAC(1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CCCN1CCOCC1
InChIInChI=1S/C13H24N4O/c1-2-12(14)13-10-15-11-17(13)5-3-4-16-6-8-18-9-7-16/h10-12H,2-9,14H2,1H3/t12-/m1/s1
InChIKeyNQCPMTGFSMMCGX-GFCCVEGCSA-N
MW252.36 g/mol
LogP1.02
Rot. Bonds6

About (1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine (PubChem CID 104942116) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine
PubChem CID104942116
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1CCCN1CCOCC1
InChIInChI=1S/C13H24N4O/c1-2-12(14)13-10-15-11-17(13)5-3-4-16-6-8-18-9-7-16/h10-12H,2-9,14H2,1H3/t12-/m1/s1
InChIKeyNQCPMTGFSMMCGX-GFCCVEGCSA-N
XLogP1.02
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine (CID 104942116) is (1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1CCCN1CCOCC1.
What is the InChIKey of (1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine?
The InChIKey is NQCPMTGFSMMCGX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-12(14)13-10-15-11-17(13)5-3-4-16-6-8-18-9-7-16/h10-12H,2-9,14H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104942116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).