3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine

C10H18N2O — CID 134166336

IUPAC3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(CN3CCOCC3)(C1)C2
InChIInChI=1S/C10H18N2O/c11-10-5-9(6-10,7-10)8-12-1-3-13-4-2-12/h1-8,11H2
InChIKeyUPTSCHUWOUQBQK-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.20
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine

3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine (PubChem CID 134166336) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine
PubChem CID134166336
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(CN3CCOCC3)(C1)C2
InChIInChI=1S/C10H18N2O/c11-10-5-9(6-10,7-10)8-12-1-3-13-4-2-12/h1-8,11H2
InChIKeyUPTSCHUWOUQBQK-UHFFFAOYSA-N
XLogP0.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine (CID 134166336) is 3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine is NC12CC(CN3CCOCC3)(C1)C2.
What is the InChIKey of 3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine?
The InChIKey is UPTSCHUWOUQBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-10-5-9(6-10,7-10)8-12-1-3-13-4-2-12/h1-8,11H2.
What are the key properties of 3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine?
3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 134166336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).