(4-pyrrolidin-1-yloxan-4-yl)methanamine

C10H20N2O — CID 43608665

IUPAC(4-pyrrolidin-1-yloxan-4-yl)methanamine
SMILESNCC1(N2CCCC2)CCOCC1
InChIInChI=1S/C10H20N2O/c11-9-10(3-7-13-8-4-10)12-5-1-2-6-12/h1-9,11H2
InChIKeyIYCPWSGUSDEAPB-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.59
Rot. Bonds2

About (4-pyrrolidin-1-yloxan-4-yl)methanamine

(4-pyrrolidin-1-yloxan-4-yl)methanamine (PubChem CID 43608665) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (4-pyrrolidin-1-yloxan-4-yl)methanamine.

Molecular Properties

Compound Name(4-pyrrolidin-1-yloxan-4-yl)methanamine
PubChem CID43608665
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(4-pyrrolidin-1-yloxan-4-yl)methanamine
SMILESNCC1(N2CCCC2)CCOCC1
InChIInChI=1S/C10H20N2O/c11-9-10(3-7-13-8-4-10)12-5-1-2-6-12/h1-9,11H2
InChIKeyIYCPWSGUSDEAPB-UHFFFAOYSA-N
XLogP0.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-yloxan-4-yl)methanamine?
The IUPAC name of (4-pyrrolidin-1-yloxan-4-yl)methanamine (CID 43608665) is (4-pyrrolidin-1-yloxan-4-yl)methanamine.
What is the SMILES notation for (4-pyrrolidin-1-yloxan-4-yl)methanamine?
The canonical SMILES for (4-pyrrolidin-1-yloxan-4-yl)methanamine is NCC1(N2CCCC2)CCOCC1.
What is the InChIKey of (4-pyrrolidin-1-yloxan-4-yl)methanamine?
The InChIKey is IYCPWSGUSDEAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c11-9-10(3-7-13-8-4-10)12-5-1-2-6-12/h1-9,11H2.
What are the key properties of (4-pyrrolidin-1-yloxan-4-yl)methanamine?
(4-pyrrolidin-1-yloxan-4-yl)methanamine has a molecular weight of 184.28 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-yloxan-4-yl)methanamine is sourced from PubChem (CID 43608665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).