[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine

C14H26N2O2 — CID 102784497

IUPAC[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine
SMILESCC1CCN(C2CCOC3(CCOC3)C2)C1CN
InChIInChI=1S/C14H26N2O2/c1-11-2-5-16(13(11)9-15)12-3-6-18-14(8-12)4-7-17-10-14/h11-13H,2-10,15H2,1H3
InChIKeyBKIYDNUBRLARCK-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.99
Rot. Bonds2

About [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine

[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine (PubChem CID 102784497) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine
PubChem CID102784497
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine
SMILESCC1CCN(C2CCOC3(CCOC3)C2)C1CN
InChIInChI=1S/C14H26N2O2/c1-11-2-5-16(13(11)9-15)12-3-6-18-14(8-12)4-7-17-10-14/h11-13H,2-10,15H2,1H3
InChIKeyBKIYDNUBRLARCK-UHFFFAOYSA-N
XLogP0.99
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine (CID 102784497) is [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine is CC1CCN(C2CCOC3(CCOC3)C2)C1CN.
What is the InChIKey of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine?
The InChIKey is BKIYDNUBRLARCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-2-5-16(13(11)9-15)12-3-6-18-14(8-12)4-7-17-10-14/h11-13H,2-10,15H2,1H3.
What are the key properties of [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine?
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine has a molecular weight of 254.37 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102784497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).