2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine

C13H23N3O2 — CID 66190354

IUPAC2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine
SMILESCOCc1cc(CN(C)C2CCCC2CN)no1
InChIInChI=1S/C13H23N3O2/c1-16(13-5-3-4-10(13)7-14)8-11-6-12(9-17-2)18-15-11/h6,10,13H,3-5,7-9,14H2,1-2H3
InChIKeyMGTUZOULZPMBQQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.38
Rot. Bonds6

About 2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine

2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine (PubChem CID 66190354) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine
PubChem CID66190354
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine
SMILESCOCc1cc(CN(C)C2CCCC2CN)no1
InChIInChI=1S/C13H23N3O2/c1-16(13-5-3-4-10(13)7-14)8-11-6-12(9-17-2)18-15-11/h6,10,13H,3-5,7-9,14H2,1-2H3
InChIKeyMGTUZOULZPMBQQ-UHFFFAOYSA-N
XLogP1.38
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine (CID 66190354) is 2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine is COCc1cc(CN(C)C2CCCC2CN)no1.
What is the InChIKey of 2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine?
The InChIKey is MGTUZOULZPMBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-16(13-5-3-4-10(13)7-14)8-11-6-12(9-17-2)18-15-11/h6,10,13H,3-5,7-9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine?
2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 66190354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).