1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine

C9H18N2O2 — CID 62068789

IUPAC1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine
SMILESNC1CCN(CC2CCOCO2)C1
InChIInChI=1S/C9H18N2O2/c10-8-1-3-11(5-8)6-9-2-4-12-7-13-9/h8-9H,1-7,10H2
InChIKeyPFZMMZVFBZDJRF-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.22
Rot. Bonds2

About 1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine

1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine (PubChem CID 62068789) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine
PubChem CID62068789
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine
SMILESNC1CCN(CC2CCOCO2)C1
InChIInChI=1S/C9H18N2O2/c10-8-1-3-11(5-8)6-9-2-4-12-7-13-9/h8-9H,1-7,10H2
InChIKeyPFZMMZVFBZDJRF-UHFFFAOYSA-N
XLogP-0.22
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine (CID 62068789) is 1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine is NC1CCN(CC2CCOCO2)C1.
What is the InChIKey of 1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine?
The InChIKey is PFZMMZVFBZDJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-8-1-3-11(5-8)6-9-2-4-12-7-13-9/h8-9H,1-7,10H2.
What are the key properties of 1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine?
1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine has a molecular weight of 186.25 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-4-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 62068789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).