6-azaspiro[3.4]octan-2-ylcyanamide

C8H13N3 — CID 155718890

IUPAC6-azaspiro[3.4]octan-2-ylcyanamide
SMILESN#CNC1CC2(CCNC2)C1
InChIInChI=1S/C8H13N3/c9-6-11-7-3-8(4-7)1-2-10-5-8/h7,10-11H,1-5H2
InChIKeyJTAKWWBLARIDPH-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.20
Rot. Bonds1

About 6-azaspiro[3.4]octan-2-ylcyanamide

6-azaspiro[3.4]octan-2-ylcyanamide (PubChem CID 155718890) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-2-ylcyanamide.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-2-ylcyanamide
PubChem CID155718890
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name6-azaspiro[3.4]octan-2-ylcyanamide
SMILESN#CNC1CC2(CCNC2)C1
InChIInChI=1S/C8H13N3/c9-6-11-7-3-8(4-7)1-2-10-5-8/h7,10-11H,1-5H2
InChIKeyJTAKWWBLARIDPH-UHFFFAOYSA-N
XLogP0.20
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

6-Aza-spiro[3.4]octane
CID 20521843
7-Methyl-6-azaspiro(3.4)octane hydrochloride
CID 86775606
6-Azaspiro[3.4]octane-2-carbonitrile
CID 131553753
(7R)-7-methyl-6-azaspiro(3.4)octane hydrochloride
CID 146155665
(7S)-7-methyl-6-azaspiro(3.4)octane hydrochloride
CID 146155769
(7R)-7-methyl-6-azaspiro[3.4]octane
CID 60052489
5-(Fluoromethyl)-6-azaspiro[3.4]octane
CID 155894059
6-Azaspiro[3.4]octan-8-amine
CID 19354291
6-Azoniaspiro[3.4]octane
CID 51776807
(3S,4R)-6-azaspiro[3.4]octan-3-amine
CID 68228107
6-Methyl-6-azaspiro[3.4]octan-3-amine
CID 68271541
(3S,4R)-6-methyl-6-azaspiro[3.4]octan-3-amine
CID 68271609

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-2-ylcyanamide?
The IUPAC name of 6-azaspiro[3.4]octan-2-ylcyanamide (CID 155718890) is 6-azaspiro[3.4]octan-2-ylcyanamide.
What is the SMILES notation for 6-azaspiro[3.4]octan-2-ylcyanamide?
The canonical SMILES for 6-azaspiro[3.4]octan-2-ylcyanamide is N#CNC1CC2(CCNC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-2-ylcyanamide?
The InChIKey is JTAKWWBLARIDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-6-11-7-3-8(4-7)1-2-10-5-8/h7,10-11H,1-5H2.
What are the key properties of 6-azaspiro[3.4]octan-2-ylcyanamide?
6-azaspiro[3.4]octan-2-ylcyanamide has a molecular weight of 151.21 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-2-ylcyanamide is sourced from PubChem (CID 155718890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).