N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

C15H25N3O — CID 107183220

IUPACN-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESCC1(C)CCCC1c1nnc(CCCNC2CC2)o1
InChIInChI=1S/C15H25N3O/c1-15(2)9-3-5-12(15)14-18-17-13(19-14)6-4-10-16-11-7-8-11/h11-12,16H,3-10H2,1-2H3
InChIKeyARTYMLOOCIJFHY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.05
Rot. Bonds6

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

N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 107183220) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
PubChem CID107183220
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESCC1(C)CCCC1c1nnc(CCCNC2CC2)o1
InChIInChI=1S/C15H25N3O/c1-15(2)9-3-5-12(15)14-18-17-13(19-14)6-4-10-16-11-7-8-11/h11-12,16H,3-10H2,1-2H3
InChIKeyARTYMLOOCIJFHY-UHFFFAOYSA-N
XLogP3.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole
CID 107175983
N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 81326950
N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine
CID 62137109
3-[5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 107003036
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138936
N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 63834383
N-[[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 107182943
N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62214456
N-[3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]propyl]-N'-cyclohexylpropane-1,3-diamine
CID 135231770
N-[3-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139311
N-methyl-3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 80596026
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
CID 62136737

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (CID 107183220) is N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is CC1(C)CCCC1c1nnc(CCCNC2CC2)o1.
What is the InChIKey of N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is ARTYMLOOCIJFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2)9-3-5-12(15)14-18-17-13(19-14)6-4-10-16-11-7-8-11/h11-12,16H,3-10H2,1-2H3.
What are the key properties of N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 107183220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).