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

C12H21N3O — CID 66129857

IUPACN-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine
SMILESCCCn1cncc1C1CC(NC)CCO1
InChIInChI=1S/C12H21N3O/c1-3-5-15-9-14-8-11(15)12-7-10(13-2)4-6-16-12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyJSZZKJZZDBFTDO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds4

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

N-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine (PubChem CID 66129857) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine
PubChem CID66129857
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine
SMILESCCCn1cncc1C1CC(NC)CCO1
InChIInChI=1S/C12H21N3O/c1-3-5-15-9-14-8-11(15)12-7-10(13-2)4-6-16-12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyJSZZKJZZDBFTDO-UHFFFAOYSA-N
XLogP1.73
TPSA39.08 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine?
The IUPAC name of N-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine (CID 66129857) is N-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for N-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for N-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine is CCCn1cncc1C1CC(NC)CCO1.
What is the InChIKey of N-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine?
The InChIKey is JSZZKJZZDBFTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-15-9-14-8-11(15)12-7-10(13-2)4-6-16-12/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of N-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine?
N-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-propylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 66129857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).