N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine

C10H17N3O — CID 62422956

IUPACN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine
SMILESCCN(Cc1cc(CN)no1)C1CC1
InChIInChI=1S/C10H17N3O/c1-2-13(9-3-4-9)7-10-5-8(6-11)12-14-10/h5,9H,2-4,6-7,11H2,1H3
InChIKeyDALASRVGOMDWQN-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.12
Rot. Bonds5

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

N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine (PubChem CID 62422956) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine
PubChem CID62422956
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine
SMILESCCN(Cc1cc(CN)no1)C1CC1
InChIInChI=1S/C10H17N3O/c1-2-13(9-3-4-9)7-10-5-8(6-11)12-14-10/h5,9H,2-4,6-7,11H2,1H3
InChIKeyDALASRVGOMDWQN-UHFFFAOYSA-N
XLogP1.12
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine?
The IUPAC name of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine (CID 62422956) is N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine?
The canonical SMILES for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine is CCN(Cc1cc(CN)no1)C1CC1.
What is the InChIKey of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine?
The InChIKey is DALASRVGOMDWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-13(9-3-4-9)7-10-5-8(6-11)12-14-10/h5,9H,2-4,6-7,11H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine?
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine has a molecular weight of 195.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine is sourced from PubChem (CID 62422956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).