N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine

C15H28N2O — CID 106025437

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCN1CCCC1CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H28N2O/c1-17-9-4-5-14(17)12-16-13-6-10-18-15(11-13)7-2-3-8-15/h13-14,16H,2-12H2,1H3
InChIKeyKZOKDWZNRKERLE-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.16
Rot. Bonds3

About N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine

N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine (PubChem CID 106025437) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
PubChem CID106025437
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
SMILESCN1CCCC1CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H28N2O/c1-17-9-4-5-14(17)12-16-13-6-10-18-15(11-13)7-2-3-8-15/h13-14,16H,2-12H2,1H3
InChIKeyKZOKDWZNRKERLE-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine (CID 106025437) is N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine is CN1CCCC1CNC1CCOC2(CCCC2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is KZOKDWZNRKERLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-17-9-4-5-14(17)12-16-13-6-10-18-15(11-13)7-2-3-8-15/h13-14,16H,2-12H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine?
N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 252.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 106025437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).