N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine

C9H19N3O2 — CID 174194198

IUPACN-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine
SMILESCN(CCN=O)CCN1CCOCC1
InChIInChI=1S/C9H19N3O2/c1-11(3-2-10-13)4-5-12-6-8-14-9-7-12/h2-9H2,1H3
InChIKeyQKDUVGHFVCIYFD-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.02
Rot. Bonds6

About N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine

N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine (PubChem CID 174194198) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine.

Molecular Properties

Compound NameN-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine
PubChem CID174194198
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine
SMILESCN(CCN=O)CCN1CCOCC1
InChIInChI=1S/C9H19N3O2/c1-11(3-2-10-13)4-5-12-6-8-14-9-7-12/h2-9H2,1H3
InChIKeyQKDUVGHFVCIYFD-UHFFFAOYSA-N
XLogP0.02
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine?
The IUPAC name of N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine (CID 174194198) is N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine.
What is the SMILES notation for N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine?
The canonical SMILES for N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine is CN(CCN=O)CCN1CCOCC1.
What is the InChIKey of N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine?
The InChIKey is QKDUVGHFVCIYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-11(3-2-10-13)4-5-12-6-8-14-9-7-12/h2-9H2,1H3.
What are the key properties of N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine?
N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine has a molecular weight of 201.27 g/mol, XLogP of 0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-morpholin-4-ylethyl)-2-nitrosoethanamine is sourced from PubChem (CID 174194198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).