4-(methylamino)-N-(oxan-3-ylmethyl)butanamide

C11H22N2O2 — CID 61019472

IUPAC4-(methylamino)-N-(oxan-3-ylmethyl)butanamide
SMILESCNCCCC(=O)NCC1CCCOC1
InChIInChI=1S/C11H22N2O2/c1-12-6-2-5-11(14)13-8-10-4-3-7-15-9-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyYDRRUOAXFOMKDI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.53
Rot. Bonds6

About 4-(methylamino)-N-(oxan-3-ylmethyl)butanamide

4-(methylamino)-N-(oxan-3-ylmethyl)butanamide (PubChem CID 61019472) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(methylamino)-N-(oxan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(oxan-3-ylmethyl)butanamide
PubChem CID61019472
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(methylamino)-N-(oxan-3-ylmethyl)butanamide
SMILESCNCCCC(=O)NCC1CCCOC1
InChIInChI=1S/C11H22N2O2/c1-12-6-2-5-11(14)13-8-10-4-3-7-15-9-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyYDRRUOAXFOMKDI-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851
N-methyl-4-(oxan-3-ylmethylamino)butanamide
CID 63890126
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119750255
6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
N-[3-(methylamino)propyl]-3-(oxolan-3-yl)propanamide;hydrochloride
CID 119432420
(E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide
CID 125144166
tert-butyl N-(oxan-3-ylmethyl)carbamate
CID 63788882
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide
CID 76927279
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(oxan-3-ylmethyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(oxan-3-ylmethyl)butanamide (CID 61019472) is 4-(methylamino)-N-(oxan-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(oxan-3-ylmethyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(oxan-3-ylmethyl)butanamide is CNCCCC(=O)NCC1CCCOC1.
What is the InChIKey of 4-(methylamino)-N-(oxan-3-ylmethyl)butanamide?
The InChIKey is YDRRUOAXFOMKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12-6-2-5-11(14)13-8-10-4-3-7-15-9-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 4-(methylamino)-N-(oxan-3-ylmethyl)butanamide?
4-(methylamino)-N-(oxan-3-ylmethyl)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(oxan-3-ylmethyl)butanamide is sourced from PubChem (CID 61019472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).