4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide

C13H27N3O2 — CID 66429956

IUPAC4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(CN)N1CC(C)OCC1C
InChIInChI=1S/C13H27N3O2/c1-9(2)15-13(17)5-12(6-14)16-7-11(4)18-8-10(16)3/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyNQQKUYSBEYMOMX-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds5

About 4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide

4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide (PubChem CID 66429956) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide
PubChem CID66429956
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(CN)N1CC(C)OCC1C
InChIInChI=1S/C13H27N3O2/c1-9(2)15-13(17)5-12(6-14)16-7-11(4)18-8-10(16)3/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyNQQKUYSBEYMOMX-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(2,5-dimethylmorpholin-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66432542
3-(2,5-dimethylmorpholin-4-yl)-2-methylbutan-1-amine
CID 79409026
4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide
CID 66430561
4-amino-N-tert-butyl-3-(5-ethyl-2-methylmorpholin-4-yl)butanamide
CID 66432044
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-amino-N-propan-2-ylbutanamide
CID 102725796
4-amino-N-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)butanamide
CID 66430565
4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 81071477
4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide
CID 114086500
4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide
CID 66431392
N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544268
2-(2,5-dimethylmorpholin-4-yl)-N-methylpropan-1-amine
CID 62432250
2-(2,5-dimethylmorpholin-4-yl)-2-(oxolan-2-yl)ethanamine
CID 82836404

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide (CID 66429956) is 4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(CN)N1CC(C)OCC1C.
What is the InChIKey of 4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide?
The InChIKey is NQQKUYSBEYMOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-9(2)15-13(17)5-12(6-14)16-7-11(4)18-8-10(16)3/h9-12H,5-8,14H2,1-4H3,(H,15,17).
What are the key properties of 4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide?
4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 66429956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).