N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine

C10H18N4O — CID 83834840

IUPACN'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)c1nc(C2CC2)no1
InChIInChI=1S/C10H18N4O/c1-7(2)14(6-5-11)10-12-9(13-15-10)8-3-4-8/h7-8H,3-6,11H2,1-2H3
InChIKeyQBSAHMBXKOWTPG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.12
Rot. Bonds5

About N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine

N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 83834840) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID83834840
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)c1nc(C2CC2)no1
InChIInChI=1S/C10H18N4O/c1-7(2)14(6-5-11)10-12-9(13-15-10)8-3-4-8/h7-8H,3-6,11H2,1-2H3
InChIKeyQBSAHMBXKOWTPG-UHFFFAOYSA-N
XLogP1.12
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine
CID 66216894
2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol
CID 97084016
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65425586
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-methylamino]propanoic acid
CID 83834968
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine
CID 47027367
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
N'-(6-cyclopropylpyrimidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 83837956
2-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072757
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
CID 71860365
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
CID 106109161
N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827051
2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65425779

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine (CID 83834840) is N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN)c1nc(C2CC2)no1.
What is the InChIKey of N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is QBSAHMBXKOWTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)14(6-5-11)10-12-9(13-15-10)8-3-4-8/h7-8H,3-6,11H2,1-2H3.
What are the key properties of N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine?
N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 83834840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).