5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine

C10H16N4O — CID 123214622

IUPAC5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine
SMILESNCC1=CCCC(c2nnc(N)o2)CC1
InChIInChI=1S/C10H16N4O/c11-6-7-2-1-3-8(5-4-7)9-13-14-10(12)15-9/h2,8H,1,3-6,11H2,(H2,12,14)
InChIKeyLNQWCMFGTCHHIN-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.19
Rot. Bonds2

About 5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine

5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 123214622) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine
PubChem CID123214622
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine
SMILESNCC1=CCCC(c2nnc(N)o2)CC1
InChIInChI=1S/C10H16N4O/c11-6-7-2-1-3-8(5-4-7)9-13-14-10(12)15-9/h2,8H,1,3-6,11H2,(H2,12,14)
InChIKeyLNQWCMFGTCHHIN-UHFFFAOYSA-N
XLogP1.19
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine (CID 123214622) is 5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine is NCC1=CCCC(c2nnc(N)o2)CC1.
What is the InChIKey of 5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LNQWCMFGTCHHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-6-7-2-1-3-8(5-4-7)9-13-14-10(12)15-9/h2,8H,1,3-6,11H2,(H2,12,14).
What are the key properties of 5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine?
5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 208.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)cyclohept-4-en-1-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 123214622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).