3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol

C14H28N2O2 — CID 55242824

IUPAC3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESNCC1(CN2CCCC2CCCO)CCCOC1
InChIInChI=1S/C14H28N2O2/c15-10-14(6-3-9-18-12-14)11-16-7-1-4-13(16)5-2-8-17/h13,17H,1-12,15H2
InChIKeyPNHYGGCYVFYGKH-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.98
Rot. Bonds6

About 3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 55242824) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID55242824
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESNCC1(CN2CCCC2CCCO)CCCOC1
InChIInChI=1S/C14H28N2O2/c15-10-14(6-3-9-18-12-14)11-16-7-1-4-13(16)5-2-8-17/h13,17H,1-12,15H2
InChIKeyPNHYGGCYVFYGKH-UHFFFAOYSA-N
XLogP0.98
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol (CID 55242824) is 3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol is NCC1(CN2CCCC2CCCO)CCCOC1.
What is the InChIKey of 3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is PNHYGGCYVFYGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c15-10-14(6-3-9-18-12-14)11-16-7-1-4-13(16)5-2-8-17/h13,17H,1-12,15H2.
What are the key properties of 3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 55242824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).