3-azaspiro[5.5]undecan-3-amine

C10H20N2 — CID 58531224

IUPAC3-azaspiro[5.5]undecan-3-amine
SMILESNN1CCC2(CCCCC2)CC1
InChIInChI=1S/C10H20N2/c11-12-8-6-10(7-9-12)4-2-1-3-5-10/h1-9,11H2
InChIKeyBUBYNYDUDYRPGG-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.91
Rot. Bonds

About 3-azaspiro[5.5]undecan-3-amine

3-azaspiro[5.5]undecan-3-amine (PubChem CID 58531224) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-3-amine.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-amine
PubChem CID58531224
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-azaspiro[5.5]undecan-3-amine
SMILESNN1CCC2(CCCCC2)CC1
InChIInChI=1S/C10H20N2/c11-12-8-6-10(7-9-12)4-2-1-3-5-10/h1-9,11H2
InChIKeyBUBYNYDUDYRPGG-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-amine?
The IUPAC name of 3-azaspiro[5.5]undecan-3-amine (CID 58531224) is 3-azaspiro[5.5]undecan-3-amine.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-amine?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-amine is NN1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-amine?
The InChIKey is BUBYNYDUDYRPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c11-12-8-6-10(7-9-12)4-2-1-3-5-10/h1-9,11H2.
What are the key properties of 3-azaspiro[5.5]undecan-3-amine?
3-azaspiro[5.5]undecan-3-amine has a molecular weight of 168.28 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-3-amine is sourced from PubChem (CID 58531224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).