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

C15H27N3O — CID 63834383

IUPACN-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESCC(Cc1nnc(CCCNC2CC2)o1)C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-11(15(2,3)4)10-14-18-17-13(19-14)6-5-9-16-12-7-8-12/h11-12,16H,5-10H2,1-4H3
InChIKeyBIOMELOLTGSRAP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.98
Rot. Bonds7

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

N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 63834383) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
PubChem CID63834383
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESCC(Cc1nnc(CCCNC2CC2)o1)C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-11(15(2,3)4)10-14-18-17-13(19-14)6-5-9-16-12-7-8-12/h11-12,16H,5-10H2,1-4H3
InChIKeyBIOMELOLTGSRAP-UHFFFAOYSA-N
XLogP2.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine 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-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine
CID 62137109
N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 112603888
N-[3-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139311
N-[3-[5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 107183220
N-[3-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 81326950
N-[3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]propyl]-N'-cyclohexylpropane-1,3-diamine
CID 135231770
N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 83150596
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 62139278
N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine
CID 62162767
N-[3-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 115370031
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144806
5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 82468042

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (CID 63834383) is N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is CC(Cc1nnc(CCCNC2CC2)o1)C(C)(C)C.
What is the InChIKey of N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is BIOMELOLTGSRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(15(2,3)4)10-14-18-17-13(19-14)6-5-9-16-12-7-8-12/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 265.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 63834383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).