(3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine

C16H28N4O — CID 96512086

IUPAC(3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc(CN(C)[C@@H]2CCN(CCC3CCCC3)C2)no1
InChIInChI=1S/C16H28N4O/c1-13-17-16(18-21-13)12-19(2)15-8-10-20(11-15)9-7-14-5-3-4-6-14/h14-15H,3-12H2,1-2H3/t15-/m1/s1
InChIKeyDPHFOGHEQFFFGF-OAHLLOKOSA-N
MW292.43 g/mol
LogP2.46
Rot. Bonds6

About (3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine

(3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 96512086) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID96512086
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc(CN(C)[C@@H]2CCN(CCC3CCCC3)C2)no1
InChIInChI=1S/C16H28N4O/c1-13-17-16(18-21-13)12-19(2)15-8-10-20(11-15)9-7-14-5-3-4-6-14/h14-15H,3-12H2,1-2H3/t15-/m1/s1
InChIKeyDPHFOGHEQFFFGF-OAHLLOKOSA-N
XLogP2.46
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 96512087
N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 154749222
1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 96513859
(3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-phenoxypropyl)pyrrolidin-3-amine
CID 96512063
(3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 97318181
N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074201
(2S)-2-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 98775213
1-(2-amino-2-methylpropyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 120857603
4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 96513865
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol
CID 100858302
(2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 100837588
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 97008816

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (CID 96512086) is (3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is Cc1nc(CN(C)[C@@H]2CCN(CCC3CCCC3)C2)no1.
What is the InChIKey of (3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is DPHFOGHEQFFFGF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13-17-16(18-21-13)12-19(2)15-8-10-20(11-15)9-7-14-5-3-4-6-14/h14-15H,3-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
(3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 292.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 96512086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).