N-[6-(methylamino)hexyl]acetamide

C9H20N2O — CID 23592782

IUPACN-[6-(methylamino)hexyl]acetamide
SMILESCNCCCCCCNC(C)=O
InChIInChI=1S/C9H20N2O/c1-9(12)11-8-6-4-3-5-7-10-2/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyCZGRSCSAJRNTDV-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.90
Rot. Bonds7

About N-[6-(methylamino)hexyl]acetamide

N-[6-(methylamino)hexyl]acetamide (PubChem CID 23592782) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[6-(methylamino)hexyl]acetamide.

Molecular Properties

Compound NameN-[6-(methylamino)hexyl]acetamide
PubChem CID23592782
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[6-(methylamino)hexyl]acetamide
SMILESCNCCCCCCNC(C)=O
InChIInChI=1S/C9H20N2O/c1-9(12)11-8-6-4-3-5-7-10-2/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyCZGRSCSAJRNTDV-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[6-(methylamino)hexyl]acetamide?
The IUPAC name of N-[6-(methylamino)hexyl]acetamide (CID 23592782) is N-[6-(methylamino)hexyl]acetamide.
What is the SMILES notation for N-[6-(methylamino)hexyl]acetamide?
The canonical SMILES for N-[6-(methylamino)hexyl]acetamide is CNCCCCCCNC(C)=O.
What is the InChIKey of N-[6-(methylamino)hexyl]acetamide?
The InChIKey is CZGRSCSAJRNTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(12)11-8-6-4-3-5-7-10-2/h10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of N-[6-(methylamino)hexyl]acetamide?
N-[6-(methylamino)hexyl]acetamide has a molecular weight of 172.27 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methylamino)hexyl]acetamide is sourced from PubChem (CID 23592782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).