2-(3-azaspiro[5.5]undecan-9-yl)ethanamine

C12H24N2 — CID 59505517

IUPAC2-(3-azaspiro[5.5]undecan-9-yl)ethanamine
SMILESNCCC1CCC2(CCNCC2)CC1
InChIInChI=1S/C12H24N2/c13-8-3-11-1-4-12(5-2-11)6-9-14-10-7-12/h11,14H,1-10,13H2
InChIKeyCCFPSJLBELNUOC-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.90
Rot. Bonds2

About 2-(3-azaspiro[5.5]undecan-9-yl)ethanamine

2-(3-azaspiro[5.5]undecan-9-yl)ethanamine (PubChem CID 59505517) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-9-yl)ethanamine.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-9-yl)ethanamine
PubChem CID59505517
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-(3-azaspiro[5.5]undecan-9-yl)ethanamine
SMILESNCCC1CCC2(CCNCC2)CC1
InChIInChI=1S/C12H24N2/c13-8-3-11-1-4-12(5-2-11)6-9-14-10-7-12/h11,14H,1-10,13H2
InChIKeyCCFPSJLBELNUOC-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-4-ylethanamine;trihydrochloride
CID 140995710
2-(3-azaspiro[5.5]undecan-9-yl)-N,N-dimethylethanamine
CID 58101761
2-azaspiro[4.5]decan-8-ylmethanamine
CID 71649170
3-propyl-8-azaspiro[4.5]decane
CID 177021329
[(5R,8S)-2-azaspiro[4.4]nonan-8-yl]methanamine
CID 97168977
9-bromo-3-azaspiro[5.5]undecane
CID 177171896
ethane;3-ethyl-8-azaspiro[4.5]decane
CID 170578114
2-(4-fluoro-4-methylcyclohexyl)ethanamine
CID 84650939
[(5R,8R)-2-azaspiro[4.4]nonan-8-yl]methanol
CID 97169518
2-(2-piperidin-4-ylethylsulfanyl)ethanamine
CID 105061316
2-(3-azaspiro[5.5]undecan-9-yl)-N,N-dimethylacetamide;hydrochloride
CID 134069831
9-azadispiro[2.2.56.23]tridecane;hydrochloride
CID 155487193

Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-9-yl)ethanamine?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-9-yl)ethanamine (CID 59505517) is 2-(3-azaspiro[5.5]undecan-9-yl)ethanamine.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-9-yl)ethanamine?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-9-yl)ethanamine is NCCC1CCC2(CCNCC2)CC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-9-yl)ethanamine?
The InChIKey is CCFPSJLBELNUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c13-8-3-11-1-4-12(5-2-11)6-9-14-10-7-12/h11,14H,1-10,13H2.
What are the key properties of 2-(3-azaspiro[5.5]undecan-9-yl)ethanamine?
2-(3-azaspiro[5.5]undecan-9-yl)ethanamine has a molecular weight of 196.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-9-yl)ethanamine is sourced from PubChem (CID 59505517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).