N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine

C12H21N3O — CID 115720116

IUPACN-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine
SMILESCc1noc(C(NC2CCCC2)C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)11(12-13-9(3)15-16-12)14-10-6-4-5-7-10/h8,10-11,14H,4-7H2,1-3H3
InChIKeyLJYURNXOSFVTEU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.61
Rot. Bonds4

About N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine

N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine (PubChem CID 115720116) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine
PubChem CID115720116
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine
SMILESCc1noc(C(NC2CCCC2)C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)11(12-13-9(3)15-16-12)14-10-6-4-5-7-10/h8,10-11,14H,4-7H2,1-3H3
InChIKeyLJYURNXOSFVTEU-UHFFFAOYSA-N
XLogP2.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 97348214
(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 146534926
5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole
CID 89185724
N-(2-methyl-1-pyridin-4-ylpropyl)cyclopentanamine
CID 115720159
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine
CID 130610885
N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide
CID 51088829
N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 129379229
(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 97335822
(1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95154008
(6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide
CID 99122278
N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine
CID 50971962
(2S)-1-methoxy-N-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-2-amine
CID 99719035

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine?
The IUPAC name of N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine (CID 115720116) is N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine is Cc1noc(C(NC2CCCC2)C(C)C)n1.
What is the InChIKey of N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine?
The InChIKey is LJYURNXOSFVTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)11(12-13-9(3)15-16-12)14-10-6-4-5-7-10/h8,10-11,14H,4-7H2,1-3H3.
What are the key properties of N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine?
N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine has a molecular weight of 223.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine is sourced from PubChem (CID 115720116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).