N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine

C10H20N4O — CID 106416784

IUPACN',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine
SMILESCc1noc(CCNCCCN(C)C)n1
InChIInChI=1S/C10H20N4O/c1-9-12-10(15-13-9)5-7-11-6-4-8-14(2)3/h11H,4-8H2,1-3H3
InChIKeySIVZAHQBEWUCJU-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.46
Rot. Bonds7

About N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine (PubChem CID 106416784) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine
PubChem CID106416784
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine
SMILESCc1noc(CCNCCCN(C)C)n1
InChIInChI=1S/C10H20N4O/c1-9-12-10(15-13-9)5-7-11-6-4-8-14(2)3/h11H,4-8H2,1-3H3
InChIKeySIVZAHQBEWUCJU-UHFFFAOYSA-N
XLogP0.46
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
CID 106416605
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371
2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
CID 114186188
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
N-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]acetamide
CID 106416797
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104871455
2,2-dimethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106414051
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106417246
2-(4-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106416674
3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole
CID 106423755
N-[(2-chlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648016
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine (CID 106416784) is N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine is Cc1noc(CCNCCCN(C)C)n1.
What is the InChIKey of N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine?
The InChIKey is SIVZAHQBEWUCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-9-12-10(15-13-9)5-7-11-6-4-8-14(2)3/h11H,4-8H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine has a molecular weight of 212.30 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 106416784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).