N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane

C13H31N3O2 — CID 144702589

IUPACN-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane
SMILESCC.CC.CN1CCOCC1CC(=O)NCCN
InChIInChI=1S/C9H19N3O2.2C2H6/c1-12-4-5-14-7-8(12)6-9(13)11-3-2-10;2*1-2/h8H,2-7,10H2,1H3,(H,11,13);2*1-2H3
InChIKeyMCCNVJNORDUPHV-UHFFFAOYSA-N
MW261.41 g/mol
LogP0.83
Rot. Bonds4

About N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane

N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane (PubChem CID 144702589) has the molecular formula C13H31N3O2 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane
PubChem CID144702589
Molecular FormulaC13H31N3O2
Molecular Weight261.41 g/mol
Exact Mass261.24
IUPAC NameN-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane
SMILESCC.CC.CN1CCOCC1CC(=O)NCCN
InChIInChI=1S/C9H19N3O2.2C2H6/c1-12-4-5-14-7-8(12)6-9(13)11-3-2-10;2*1-2/h8H,2-7,10H2,1H3,(H,11,13);2*1-2H3
InChIKeyMCCNVJNORDUPHV-UHFFFAOYSA-N
XLogP0.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Diamino-1-morpholin-4-yl-butan-1-one
CID 44364253
2-Amino-1-(morpholin-4-yl)butan-1-one
CID 22273198
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
(2S)-2-amino-1-(morpholin-4-yl)butan-1-one hydrochloride
CID 86690681
N-[2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethyl]acetamide
CID 53624131
2-(Morpholin-3-yl)acetamide
CID 57093685
N-(2-morpholin-4-ylethyl)-4-(2,2,2-trifluoroethoxy)butanamide
CID 45833363
2-morpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 80420951
N-methyl-2-morpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 80421633
N-ethyl-2-morpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 80421986
N-cyclopropyl-2-morpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 80421987
2-Morpholin-3-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 80422067

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane?
The IUPAC name of N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane (CID 144702589) is N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane?
The canonical SMILES for N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane is CC.CC.CN1CCOCC1CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane?
The InChIKey is MCCNVJNORDUPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.2C2H6/c1-12-4-5-14-7-8(12)6-9(13)11-3-2-10;2*1-2/h8H,2-7,10H2,1H3,(H,11,13);2*1-2H3.
What are the key properties of N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane?
N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane has a molecular weight of 261.41 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-methylmorpholin-3-yl)acetamide;ethane is sourced from PubChem (CID 144702589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).