(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine

C12H21N3O — CID 104944059

IUPAC(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C(C)C1CCOC1
InChIInChI=1S/C12H21N3O/c1-3-11(13)12-6-14-8-15(12)9(2)10-4-5-16-7-10/h6,8-11H,3-5,7,13H2,1-2H3/t9?,10?,11-/m1/s1
InChIKeyORWQXRFNAXMXQK-VQXHTEKXSA-N
MW223.32 g/mol
LogP1.89
Rot. Bonds4

About (1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine

(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine (PubChem CID 104944059) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine
PubChem CID104944059
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C(C)C1CCOC1
InChIInChI=1S/C12H21N3O/c1-3-11(13)12-6-14-8-15(12)9(2)10-4-5-16-7-10/h6,8-11H,3-5,7,13H2,1-2H3/t9?,10?,11-/m1/s1
InChIKeyORWQXRFNAXMXQK-VQXHTEKXSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine (CID 104944059) is (1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1C(C)C1CCOC1.
What is the InChIKey of (1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine?
The InChIKey is ORWQXRFNAXMXQK-VQXHTEKXSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-11(13)12-6-14-8-15(12)9(2)10-4-5-16-7-10/h6,8-11H,3-5,7,13H2,1-2H3/t9?,10?,11-/m1/s1.
What are the key properties of (1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104944059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).