6-amino-N-methyl-N-(oxan-4-yl)hexanamide

C12H24N2O2 — CID 43611096

IUPAC6-amino-N-methyl-N-(oxan-4-yl)hexanamide
SMILESCN(C(=O)CCCCCN)C1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-14(11-6-9-16-10-7-11)12(15)5-3-2-4-8-13/h11H,2-10,13H2,1H3
InChIKeySVQHCYBYQNSJEI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds6

About 6-amino-N-methyl-N-(oxan-4-yl)hexanamide

6-amino-N-methyl-N-(oxan-4-yl)hexanamide (PubChem CID 43611096) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(oxan-4-yl)hexanamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(oxan-4-yl)hexanamide
PubChem CID43611096
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name6-amino-N-methyl-N-(oxan-4-yl)hexanamide
SMILESCN(C(=O)CCCCCN)C1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-14(11-6-9-16-10-7-11)12(15)5-3-2-4-8-13/h11H,2-10,13H2,1H3
InChIKeySVQHCYBYQNSJEI-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(oxan-4-yl)hexanamide?
The IUPAC name of 6-amino-N-methyl-N-(oxan-4-yl)hexanamide (CID 43611096) is 6-amino-N-methyl-N-(oxan-4-yl)hexanamide.
What is the SMILES notation for 6-amino-N-methyl-N-(oxan-4-yl)hexanamide?
The canonical SMILES for 6-amino-N-methyl-N-(oxan-4-yl)hexanamide is CN(C(=O)CCCCCN)C1CCOCC1.
What is the InChIKey of 6-amino-N-methyl-N-(oxan-4-yl)hexanamide?
The InChIKey is SVQHCYBYQNSJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14(11-6-9-16-10-7-11)12(15)5-3-2-4-8-13/h11H,2-10,13H2,1H3.
What are the key properties of 6-amino-N-methyl-N-(oxan-4-yl)hexanamide?
6-amino-N-methyl-N-(oxan-4-yl)hexanamide has a molecular weight of 228.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(oxan-4-yl)hexanamide is sourced from PubChem (CID 43611096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).