1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine

C14H26N2O2 — CID 115316834

IUPAC1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H26N2O2/c1-15-10-13-3-2-6-16(13)12-4-7-18-14(9-12)5-8-17-11-14/h12-13,15H,2-11H2,1H3
InChIKeyKWBMFRWLVIBNPW-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.01
Rot. Bonds3

About 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine

1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 115316834) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID115316834
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H26N2O2/c1-15-10-13-3-2-6-16(13)12-4-7-18-14(9-12)5-8-17-11-14/h12-13,15H,2-11H2,1H3
InChIKeyKWBMFRWLVIBNPW-UHFFFAOYSA-N
XLogP1.01
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919993
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanamine
CID 79919949
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpyrrolidin-3-amine
CID 115300476
1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)piperidin-2-yl]-N-methylmethanamine
CID 55169879
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,4-dimethylpiperidin-4-amine
CID 115304909
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 102784497
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
CID 79903946
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine
CID 79901180
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylazetidin-3-amine
CID 79919359
N-methyl-1-(1-spiro[4.5]decan-8-ylpyrrolidin-2-yl)methanamine
CID 114818954

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine (CID 115316834) is 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is KWBMFRWLVIBNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15-10-13-3-2-6-16(13)12-4-7-18-14(9-12)5-8-17-11-14/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 254.37 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 115316834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).