3-propyl-8-azaspiro[4.5]decane

C12H23N — CID 177021329

IUPAC3-propyl-8-azaspiro[4.5]decane
SMILESCCCC1CCC2(CCNCC2)C1
InChIInChI=1S/C12H23N/c1-2-3-11-4-5-12(10-11)6-8-13-9-7-12/h11,13H,2-10H2,1H3
InChIKeyPENIJQDYUMHILO-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.96
Rot. Bonds2

About 3-propyl-8-azaspiro[4.5]decane

3-propyl-8-azaspiro[4.5]decane (PubChem CID 177021329) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-propyl-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-propyl-8-azaspiro[4.5]decane
PubChem CID177021329
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-propyl-8-azaspiro[4.5]decane
SMILESCCCC1CCC2(CCNCC2)C1
InChIInChI=1S/C12H23N/c1-2-3-11-4-5-12(10-11)6-8-13-9-7-12/h11,13H,2-10H2,1H3
InChIKeyPENIJQDYUMHILO-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-ethyl-8-azaspiro[4.5]decane
CID 170578114
ethane;(3S)-3-propylspiro[4.4]nonane
CID 177054830
6-propyl-2-azaspiro[3.5]nonane
CID 170593809
2-methyl-7-propylspiro[3.5]nonane
CID 149299427
[(5R,8R)-2-azaspiro[4.4]nonan-8-yl]methanol
CID 97169518
7-propylspiro[3.5]nonane
CID 144910869
(7R)-7-methyl-2-propylspiro[3.4]octane
CID 167622159
2-(3-azaspiro[5.5]undecan-9-yl)ethanamine
CID 59505517
2-(3-azaspiro[5.5]undecan-9-yl)-N,N-dimethylethanamine
CID 58101761
ethane;4-propylpiperidine
CID 142071399
3-propylspiro[5.6]dodecane
CID 163613469
11-pentyl-3-propyldispiro[5.1.58.16]tetradecane
CID 18633801

Frequently Asked Questions

What is the IUPAC name of 3-propyl-8-azaspiro[4.5]decane?
The IUPAC name of 3-propyl-8-azaspiro[4.5]decane (CID 177021329) is 3-propyl-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-propyl-8-azaspiro[4.5]decane?
The canonical SMILES for 3-propyl-8-azaspiro[4.5]decane is CCCC1CCC2(CCNCC2)C1.
What is the InChIKey of 3-propyl-8-azaspiro[4.5]decane?
The InChIKey is PENIJQDYUMHILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-11-4-5-12(10-11)6-8-13-9-7-12/h11,13H,2-10H2,1H3.
What are the key properties of 3-propyl-8-azaspiro[4.5]decane?
3-propyl-8-azaspiro[4.5]decane has a molecular weight of 181.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-8-azaspiro[4.5]decane is sourced from PubChem (CID 177021329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).