N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine

C14H25N3O2 — CID 102740938

IUPACN-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine
SMILESCCCNCc1cc(COCCN(C)C2CC2)on1
InChIInChI=1S/C14H25N3O2/c1-3-6-15-10-12-9-14(19-16-12)11-18-8-7-17(2)13-4-5-13/h9,13,15H,3-8,10-11H2,1-2H3
InChIKeyZGPHUJOBVRKDMI-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.78
Rot. Bonds10

About N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine

N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine (PubChem CID 102740938) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine
PubChem CID102740938
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine
SMILESCCCNCc1cc(COCCN(C)C2CC2)on1
InChIInChI=1S/C14H25N3O2/c1-3-6-15-10-12-9-14(19-16-12)11-18-8-7-17(2)13-4-5-13/h9,13,15H,3-8,10-11H2,1-2H3
InChIKeyZGPHUJOBVRKDMI-UHFFFAOYSA-N
XLogP1.78
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine (CID 102740938) is N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine is CCCNCc1cc(COCCN(C)C2CC2)on1.
What is the InChIKey of N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine?
The InChIKey is ZGPHUJOBVRKDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-6-15-10-12-9-14(19-16-12)11-18-8-7-17(2)13-4-5-13/h9,13,15H,3-8,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine?
N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine has a molecular weight of 267.37 g/mol, XLogP of 1.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine is sourced from PubChem (CID 102740938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).