5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine

C8H16N4O — CID 106966295

IUPAC5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCCCC(C)Nc1nnc(CN)o1
InChIInChI=1S/C8H16N4O/c1-3-4-6(2)10-8-12-11-7(5-9)13-8/h6H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyYLGYQOSXOURAKQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.13
Rot. Bonds5

About 5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 106966295) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID106966295
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCCCC(C)Nc1nnc(CN)o1
InChIInChI=1S/C8H16N4O/c1-3-4-6(2)10-8-12-11-7(5-9)13-8/h6H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyYLGYQOSXOURAKQ-UHFFFAOYSA-N
XLogP1.13
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106970670
5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 127011526
5-(aminomethyl)-N-(1-thiophen-2-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 106970644
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960441
5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962109
5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969017
N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959871
5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine
CID 106957513
5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959621
5-(aminomethyl)-N-benzhydryl-1,3,4-oxadiazol-2-amine
CID 106966021
N-[1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 72866401

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine (CID 106966295) is 5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine is CCCC(C)Nc1nnc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is YLGYQOSXOURAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-3-4-6(2)10-8-12-11-7(5-9)13-8/h6H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of 5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 184.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).