5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C12H22N4O2 — CID 106971003

IUPAC5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCC2CCCOC2)o1
InChIInChI=1S/C12H22N4O2/c1-3-13-9(2)11-15-16-12(18-11)14-7-10-5-4-6-17-8-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyPZPDUFXYVJMQDV-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.58
Rot. Bonds6

About 5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine

5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106971003) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106971003
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCC2CCCOC2)o1
InChIInChI=1S/C12H22N4O2/c1-3-13-9(2)11-15-16-12(18-11)14-7-10-5-4-6-17-8-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyPZPDUFXYVJMQDV-UHFFFAOYSA-N
XLogP1.58
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(ethylamino)ethyl]-N-[(4-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960955
N-(cyclohexylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968919
5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971002
5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961976
N-(1-cyclohexylethyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960760
5-[1-(ethylamino)ethyl]-N-(2-propan-2-ylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106963967
N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966108
5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963106
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969373
6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814333
5-(1-chloroethyl)-N-(oxan-3-yl)-1,3,4-oxadiazol-2-amine
CID 106957785

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106971003) is 5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(NCC2CCCOC2)o1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PZPDUFXYVJMQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-13-9(2)11-15-16-12(18-11)14-7-10-5-4-6-17-8-10/h9-10,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 254.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106971003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).