N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

C13H23N3O2 — CID 81067715

IUPACN-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCCOCCN(C)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C13H23N3O2/c1-3-17-7-6-16(2)10-13-8-12(15-18-13)9-14-11-4-5-11/h8,11,14H,3-7,9-10H2,1-2H3
InChIKeyYUYZKLWOCPCSMM-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.39
Rot. Bonds9

About N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 81067715) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID81067715
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCCOCCN(C)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C13H23N3O2/c1-3-17-7-6-16(2)10-13-8-12(15-18-13)9-14-11-4-5-11/h8,11,14H,3-7,9-10H2,1-2H3
InChIKeyYUYZKLWOCPCSMM-UHFFFAOYSA-N
XLogP1.39
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.39
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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Related Compounds

N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 81067481
N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 112665585
N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62439222
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55072609
N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55074758
N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62418473
N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62427363
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
CID 62433873
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 63274842
N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62457342
N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62429429
N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62440537

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 81067715) is N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is CCOCCN(C)Cc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is YUYZKLWOCPCSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-17-7-6-16(2)10-13-8-12(15-18-13)9-14-11-4-5-11/h8,11,14H,3-7,9-10H2,1-2H3.
What are the key properties of N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 253.35 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 81067715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).