N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine

C13H23N3O — CID 81330027

IUPACN-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncc[nH]1)C1CCC(C)O1
InChIInChI=1S/C13H23N3O/c1-3-6-14-11(9-13-15-7-8-16-13)12-5-4-10(2)17-12/h7-8,10-12,14H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyDEXAJFHJSGMDQZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds6

About N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine

N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine (PubChem CID 81330027) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
PubChem CID81330027
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncc[nH]1)C1CCC(C)O1
InChIInChI=1S/C13H23N3O/c1-3-6-14-11(9-13-15-7-8-16-13)12-5-4-10(2)17-12/h7-8,10-12,14H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyDEXAJFHJSGMDQZ-UHFFFAOYSA-N
XLogP1.89
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine (CID 81330027) is N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ncc[nH]1)C1CCC(C)O1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is DEXAJFHJSGMDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-6-14-11(9-13-15-7-8-16-13)12-5-4-10(2)17-12/h7-8,10-12,14H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81330027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).