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

C16H26N4O — CID 106966108

IUPACN-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C16H26N4O/c1-3-17-10(2)14-19-20-15(21-14)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13,17H,3-9H2,1-2H3,(H,18,20)
InChIKeyYDYHFQKBBYQSET-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.12
Rot. Bonds5

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

N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966108) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966108
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NC23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C16H26N4O/c1-3-17-10(2)14-19-20-15(21-14)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13,17H,3-9H2,1-2H3,(H,18,20)
InChIKeyYDYHFQKBBYQSET-UHFFFAOYSA-N
XLogP3.12
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(ethylamino)ethyl]-N-[(4-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960955
5-[1-(ethylamino)ethyl]-N-(4-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106970199
N-(1-cyclohexylethyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960760
5-[1-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971003
5-[1-(ethylamino)ethyl]-N-(2-propan-2-ylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106963967
N-(1,1-dioxothian-4-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969373
5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961976
N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970865
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
CID 106959375
N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966105
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62164103
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106966108) is N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(NC23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is YDYHFQKBBYQSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-17-10(2)14-19-20-15(21-14)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13,17H,3-9H2,1-2H3,(H,18,20).
What are the key properties of N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 290.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).