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

C7H14N4O — CID 103389384

IUPAC2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine
SMILESCc1noc(CNC(C)CN)n1
InChIInChI=1S/C7H14N4O/c1-5(3-8)9-4-7-10-6(2)11-12-7/h5,9H,3-4,8H2,1-2H3
InChIKeyYKUHXIFPVWWUMH-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.19
Rot. Bonds4

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

2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine (PubChem CID 103389384) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine
PubChem CID103389384
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine
SMILESCc1noc(CNC(C)CN)n1
InChIInChI=1S/C7H14N4O/c1-5(3-8)9-4-7-10-6(2)11-12-7/h5,9H,3-4,8H2,1-2H3
InChIKeyYKUHXIFPVWWUMH-UHFFFAOYSA-N
XLogP-0.19
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 114991150
2-(aminomethyl)-3-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 65227219
3-amino-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 62669840
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine
CID 61015246
4-(4-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 61013750
5-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 82012629
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79535946
2-(aminomethyl)-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 107269486
N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide
CID 54903567
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777410

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine (CID 103389384) is 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine is Cc1noc(CNC(C)CN)n1.
What is the InChIKey of 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine?
The InChIKey is YKUHXIFPVWWUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5(3-8)9-4-7-10-6(2)11-12-7/h5,9H,3-4,8H2,1-2H3.
What are the key properties of 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine?
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine has a molecular weight of 170.22 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 103389384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).