[1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone

C12H22N2O3 — CID 81203715

IUPAC[1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNCC1(C(=O)N2CCOC(CO)C2)CCCC1
InChIInChI=1S/C12H22N2O3/c13-9-12(3-1-2-4-12)11(16)14-5-6-17-10(7-14)8-15/h10,15H,1-9,13H2
InChIKeyCULLNUICKJXZEB-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.27
Rot. Bonds3

About [1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone

[1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81203715) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81203715
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNCC1(C(=O)N2CCOC(CO)C2)CCCC1
InChIInChI=1S/C12H22N2O3/c13-9-12(3-1-2-4-12)11(16)14-5-6-17-10(7-14)8-15/h10,15H,1-9,13H2
InChIKeyCULLNUICKJXZEB-UHFFFAOYSA-N
XLogP-0.27
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81203715) is [1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone is NCC1(C(=O)N2CCOC(CO)C2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is CULLNUICKJXZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-9-12(3-1-2-4-12)11(16)14-5-6-17-10(7-14)8-15/h10,15H,1-9,13H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?
[1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 242.32 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81203715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).