2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane

C15H28N2 — CID 114279344

IUPAC2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane
SMILESCC1CCNC1CN1CCC2(CCCCC2)C1
InChIInChI=1S/C15H28N2/c1-13-5-9-16-14(13)11-17-10-8-15(12-17)6-3-2-4-7-15/h13-14,16H,2-12H2,1H3
InChIKeyYZGODHWFVCEELL-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.64
Rot. Bonds2

About 2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane

2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane (PubChem CID 114279344) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane
PubChem CID114279344
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane
SMILESCC1CCNC1CN1CCC2(CCCCC2)C1
InChIInChI=1S/C15H28N2/c1-13-5-9-16-14(13)11-17-10-8-15(12-17)6-3-2-4-7-15/h13-14,16H,2-12H2,1H3
InChIKeyYZGODHWFVCEELL-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane?
The IUPAC name of 2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane (CID 114279344) is 2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane?
The canonical SMILES for 2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane is CC1CCNC1CN1CCC2(CCCCC2)C1.
What is the InChIKey of 2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane?
The InChIKey is YZGODHWFVCEELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-13-5-9-16-14(13)11-17-10-8-15(12-17)6-3-2-4-7-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane?
2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane has a molecular weight of 236.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidin-2-yl)methyl]-2-azaspiro[4.5]decane is sourced from PubChem (CID 114279344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).