3-(oxan-2-ylmethylamino)butanamide

C10H20N2O2 — CID 115676557

IUPAC3-(oxan-2-ylmethylamino)butanamide
SMILESCC(CC(N)=O)NCC1CCCCO1
InChIInChI=1S/C10H20N2O2/c1-8(6-10(11)13)12-7-9-4-2-3-5-14-9/h8-9,12H,2-7H2,1H3,(H2,11,13)
InChIKeyXRNITGFDUNGXBS-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.41
Rot. Bonds5

About 3-(oxan-2-ylmethylamino)butanamide

3-(oxan-2-ylmethylamino)butanamide (PubChem CID 115676557) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(oxan-2-ylmethylamino)butanamide.

Molecular Properties

Compound Name3-(oxan-2-ylmethylamino)butanamide
PubChem CID115676557
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(oxan-2-ylmethylamino)butanamide
SMILESCC(CC(N)=O)NCC1CCCCO1
InChIInChI=1S/C10H20N2O2/c1-8(6-10(11)13)12-7-9-4-2-3-5-14-9/h8-9,12H,2-7H2,1H3,(H2,11,13)
InChIKeyXRNITGFDUNGXBS-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-(oxan-2-ylmethyl)butanamide
CID 62832746
1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 64630980
1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
CID 43386449
methyl 2-methyl-3-(oxolan-2-ylmethylamino)butanoate
CID 79391941
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
2-(oxan-2-ylmethylamino)-N-pentan-3-ylpropanamide
CID 55014476
N-ethyl-N-methyl-2-(oxan-2-ylmethylamino)propanamide
CID 103108703
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
2-(oxolan-2-yl)-2-(oxolan-2-ylmethylamino)acetamide
CID 82837199
4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethylamino)butanamide?
The IUPAC name of 3-(oxan-2-ylmethylamino)butanamide (CID 115676557) is 3-(oxan-2-ylmethylamino)butanamide.
What is the SMILES notation for 3-(oxan-2-ylmethylamino)butanamide?
The canonical SMILES for 3-(oxan-2-ylmethylamino)butanamide is CC(CC(N)=O)NCC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethylamino)butanamide?
The InChIKey is XRNITGFDUNGXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(6-10(11)13)12-7-9-4-2-3-5-14-9/h8-9,12H,2-7H2,1H3,(H2,11,13).
What are the key properties of 3-(oxan-2-ylmethylamino)butanamide?
3-(oxan-2-ylmethylamino)butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethylamino)butanamide is sourced from PubChem (CID 115676557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).