N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine

C13H23N3O — CID 66130057

IUPACN-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine
SMILESCCCn1cncc1C1CC(NCC)CCO1
InChIInChI=1S/C13H23N3O/c1-3-6-16-10-14-9-12(16)13-8-11(15-4-2)5-7-17-13/h9-11,13,15H,3-8H2,1-2H3
InChIKeyKXZMMFQWALVGGS-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.12
Rot. Bonds5

About N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine

N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine (PubChem CID 66130057) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine
PubChem CID66130057
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine
SMILESCCCn1cncc1C1CC(NCC)CCO1
InChIInChI=1S/C13H23N3O/c1-3-6-16-10-14-9-12(16)13-8-11(15-4-2)5-7-17-13/h9-11,13,15H,3-8H2,1-2H3
InChIKeyKXZMMFQWALVGGS-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine?
The IUPAC name of N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine (CID 66130057) is N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine is CCCn1cncc1C1CC(NCC)CCO1.
What is the InChIKey of N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine?
The InChIKey is KXZMMFQWALVGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-6-16-10-14-9-12(16)13-8-11(15-4-2)5-7-17-13/h9-11,13,15H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine?
N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-propylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 66130057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).