2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide

C13H26N2O2 — CID 115188973

IUPAC2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide
SMILESCCC(CNC)C(=O)NCCC1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-12(10-14-2)13(16)15-7-4-11-5-8-17-9-6-11/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyMNDNKXMTLHCNOW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.16
Rot. Bonds7

About 2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide

2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide (PubChem CID 115188973) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide
PubChem CID115188973
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide
SMILESCCC(CNC)C(=O)NCCC1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-12(10-14-2)13(16)15-7-4-11-5-8-17-9-6-11/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyMNDNKXMTLHCNOW-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide
CID 115188971
2-(methylamino)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 115152043
methyl 2-[[2-(oxan-4-yl)ethylamino]methyl]butanoate
CID 115253236
N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158324
2-(oxan-4-yl)ethylurea
CID 68798130
N-(2-cyclobutyl-2-methylpropyl)-2-(methylaminomethyl)butanamide
CID 115189025
N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699
ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate
CID 115142074
N-cyclobutyl-2-(methylaminomethyl)butanamide
CID 115188777
2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115186732
2-(methylaminomethyl)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115189024
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide?
The IUPAC name of 2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide (CID 115188973) is 2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide?
The canonical SMILES for 2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide is CCC(CNC)C(=O)NCCC1CCOCC1.
What is the InChIKey of 2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide?
The InChIKey is MNDNKXMTLHCNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-12(10-14-2)13(16)15-7-4-11-5-8-17-9-6-11/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide?
2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide is sourced from PubChem (CID 115188973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).