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

C13H26N4O — CID 79661328

IUPACN'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
SMILESCCN(Cc1nc(C(C)C)no1)CC(C)(C)CN
InChIInChI=1S/C13H26N4O/c1-6-17(9-13(4,5)8-14)7-11-15-12(10(2)3)16-18-11/h10H,6-9,14H2,1-5H3
InChIKeyCUCRTNCBDSYAIJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.00
Rot. Bonds7

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

N'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine (PubChem CID 79661328) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
PubChem CID79661328
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
SMILESCCN(Cc1nc(C(C)C)no1)CC(C)(C)CN
InChIInChI=1S/C13H26N4O/c1-6-17(9-13(4,5)8-14)7-11-15-12(10(2)3)16-18-11/h10H,6-9,14H2,1-5H3
InChIKeyCUCRTNCBDSYAIJ-UHFFFAOYSA-N
XLogP2.00
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-ethyl-2,2-dimethyl-N'-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propane-1,3-diamine
CID 79668375
N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79668122
2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 56812880
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol
CID 78962718
5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 129255475
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine
CID 79664342
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-ethylamino]-2-methylpropanoic acid
CID 62852602
3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 60987942
N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 79661617
N'-(2,2-difluoroethyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79662145

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine (CID 79661328) is N'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine is CCN(Cc1nc(C(C)C)no1)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine?
The InChIKey is CUCRTNCBDSYAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-17(9-13(4,5)8-14)7-11-15-12(10(2)3)16-18-11/h10H,6-9,14H2,1-5H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine has a molecular weight of 254.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79661328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).