1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine

C14H26N2O2 — CID 63263214

IUPAC1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C14H26N2O2/c1-15-10-12-4-7-16(11-12)13-2-5-14(6-3-13)17-8-9-18-14/h12-13,15H,2-11H2,1H3
InChIKeyBKCAUZDWHXHEKU-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.21
Rot. Bonds3

About 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 63263214) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID63263214
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C14H26N2O2/c1-15-10-12-4-7-16(11-12)13-2-5-14(6-3-13)17-8-9-18-14/h12-13,15H,2-11H2,1H3
InChIKeyBKCAUZDWHXHEKU-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine (CID 63263214) is 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(C2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is BKCAUZDWHXHEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15-10-12-4-7-16(11-12)13-2-5-14(6-3-13)17-8-9-18-14/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 254.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63263214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).