3-[(4-methyloxan-4-yl)methylamino]butanamide

C11H22N2O2 — CID 115893031

IUPAC3-[(4-methyloxan-4-yl)methylamino]butanamide
SMILESCC(CC(N)=O)NCC1(C)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-9(7-10(12)14)13-8-11(2)3-5-15-6-4-11/h9,13H,3-8H2,1-2H3,(H2,12,14)
InChIKeyHPBICRHDZHHQKA-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.66
Rot. Bonds5

About 3-[(4-methyloxan-4-yl)methylamino]butanamide

3-[(4-methyloxan-4-yl)methylamino]butanamide (PubChem CID 115893031) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(4-methyloxan-4-yl)methylamino]butanamide.

Molecular Properties

Compound Name3-[(4-methyloxan-4-yl)methylamino]butanamide
PubChem CID115893031
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[(4-methyloxan-4-yl)methylamino]butanamide
SMILESCC(CC(N)=O)NCC1(C)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-9(7-10(12)14)13-8-11(2)3-5-15-6-4-11/h9,13H,3-8H2,1-2H3,(H2,12,14)
InChIKeyHPBICRHDZHHQKA-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide
CID 103827766
2-(4-methyloxan-4-yl)acetamide
CID 137499101
3,3-dimethyl-N-[(4-methyloxan-4-yl)methyl]butan-2-amine
CID 115893014
N-(4-amino-4-oxobutan-2-yl)-4-cyanooxane-4-carboxamide
CID 115664806
N-[(4-methyloxan-4-yl)methyl]heptan-4-amine
CID 115893009
(2S)-2-amino-3-methyl-N-[2-[(4-methyloxan-4-yl)methylamino]-2-oxoethyl]butanamide
CID 103885066
3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 114125228
3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide
CID 115895322
3-(ethylamino)butanamide
CID 18792210
N-(3-methoxypropyl)-2-[(4-methyloxan-4-yl)methylamino]propanamide
CID 103742237
3-[(4-methyloxan-4-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 104586350
1-carbamothioyl-N-[(4-methyloxan-4-yl)methyl]cyclobutane-1-carboxamide
CID 114125500

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyloxan-4-yl)methylamino]butanamide?
The IUPAC name of 3-[(4-methyloxan-4-yl)methylamino]butanamide (CID 115893031) is 3-[(4-methyloxan-4-yl)methylamino]butanamide.
What is the SMILES notation for 3-[(4-methyloxan-4-yl)methylamino]butanamide?
The canonical SMILES for 3-[(4-methyloxan-4-yl)methylamino]butanamide is CC(CC(N)=O)NCC1(C)CCOCC1.
What is the InChIKey of 3-[(4-methyloxan-4-yl)methylamino]butanamide?
The InChIKey is HPBICRHDZHHQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(7-10(12)14)13-8-11(2)3-5-15-6-4-11/h9,13H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 3-[(4-methyloxan-4-yl)methylamino]butanamide?
3-[(4-methyloxan-4-yl)methylamino]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyloxan-4-yl)methylamino]butanamide is sourced from PubChem (CID 115893031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).