2-amino-3-(oxan-3-ylmethylamino)propanamide

C9H19N3O2 — CID 103242267

IUPAC2-amino-3-(oxan-3-ylmethylamino)propanamide
SMILESNC(=O)C(N)CNCC1CCCOC1
InChIInChI=1S/C9H19N3O2/c10-8(9(11)13)5-12-4-7-2-1-3-14-6-7/h7-8,12H,1-6,10H2,(H2,11,13)
InChIKeyXDYZOHJLKJCOPG-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.18
Rot. Bonds5

About 2-amino-3-(oxan-3-ylmethylamino)propanamide

2-amino-3-(oxan-3-ylmethylamino)propanamide (PubChem CID 103242267) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-3-(oxan-3-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(oxan-3-ylmethylamino)propanamide
PubChem CID103242267
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-amino-3-(oxan-3-ylmethylamino)propanamide
SMILESNC(=O)C(N)CNCC1CCCOC1
InChIInChI=1S/C9H19N3O2/c10-8(9(11)13)5-12-4-7-2-1-3-14-6-7/h7-8,12H,1-6,10H2,(H2,11,13)
InChIKeyXDYZOHJLKJCOPG-UHFFFAOYSA-N
XLogP-1.18
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide
CID 103242220
methyl 2-bromo-3-(oxan-3-ylmethylamino)propanoate
CID 103242246
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide
CID 103255271
1-(dimethylamino)-3-(oxan-3-ylmethylamino)propan-2-ol
CID 61020835
2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide
CID 62473603
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide
CID 76927279
2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide
CID 81088387
2-(oxolan-3-ylmethylamino)acetamide
CID 16770928
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(oxan-3-ylmethylamino)propanamide?
The IUPAC name of 2-amino-3-(oxan-3-ylmethylamino)propanamide (CID 103242267) is 2-amino-3-(oxan-3-ylmethylamino)propanamide.
What is the SMILES notation for 2-amino-3-(oxan-3-ylmethylamino)propanamide?
The canonical SMILES for 2-amino-3-(oxan-3-ylmethylamino)propanamide is NC(=O)C(N)CNCC1CCCOC1.
What is the InChIKey of 2-amino-3-(oxan-3-ylmethylamino)propanamide?
The InChIKey is XDYZOHJLKJCOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-8(9(11)13)5-12-4-7-2-1-3-14-6-7/h7-8,12H,1-6,10H2,(H2,11,13).
What are the key properties of 2-amino-3-(oxan-3-ylmethylamino)propanamide?
2-amino-3-(oxan-3-ylmethylamino)propanamide has a molecular weight of 201.27 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(oxan-3-ylmethylamino)propanamide is sourced from PubChem (CID 103242267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).