N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride

C12H23ClN4O — CID 119923037

IUPACN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(C)Cc1noc(CN(C)C2CCNC2)n1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-9(2)6-11-14-12(17-15-11)8-16(3)10-4-5-13-7-10;/h9-10,13H,4-8H2,1-3H3;1H
InChIKeyMEGOBXZTJNSNEC-UHFFFAOYSA-N
MW274.80 g/mol
LogP1.48
Rot. Bonds5

About N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride

N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119923037) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119923037
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(C)Cc1noc(CN(C)C2CCNC2)n1.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-9(2)6-11-14-12(17-15-11)8-16(3)10-4-5-13-7-10;/h9-10,13H,4-8H2,1-3H3;1H
InChIKeyMEGOBXZTJNSNEC-UHFFFAOYSA-N
XLogP1.48
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607336
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-amine;dihydrochloride
CID 154889034
N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63301786
1-N,4-N-dimethyl-4-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1,4-diamine
CID 79111307
N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 55249313
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine
CID 43607122
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 63643917
3-(2-methylpropyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 130747832
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
CID 63301628
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119912855
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
CID 95121051
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922917

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride (CID 119923037) is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride is CC(C)Cc1noc(CN(C)C2CCNC2)n1.Cl.
What is the InChIKey of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is MEGOBXZTJNSNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.ClH/c1-9(2)6-11-14-12(17-15-11)8-16(3)10-4-5-13-7-10;/h9-10,13H,4-8H2,1-3H3;1H.
What are the key properties of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride?
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119923037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).