N-(6-aminohexyl)-2-chloroacetamide

C8H17ClN2O — CID 14484874

IUPACN-(6-aminohexyl)-2-chloroacetamide
SMILESNCCCCCCNC(=O)CCl
InChIInChI=1S/C8H17ClN2O/c9-7-8(12)11-6-4-2-1-3-5-10/h1-7,10H2,(H,11,12)
InChIKeySCOZNWSPESSJEA-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.86
Rot. Bonds7

About N-(6-aminohexyl)-2-chloroacetamide

N-(6-aminohexyl)-2-chloroacetamide (PubChem CID 14484874) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2-chloroacetamide
PubChem CID14484874
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC NameN-(6-aminohexyl)-2-chloroacetamide
SMILESNCCCCCCNC(=O)CCl
InChIInChI=1S/C8H17ClN2O/c9-7-8(12)11-6-4-2-1-3-5-10/h1-7,10H2,(H,11,12)
InChIKeySCOZNWSPESSJEA-UHFFFAOYSA-N
XLogP0.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
CID 89207186
CID 89207186
N-(6-aminohexyl)-2-iodoacetamide
CID 129106348
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
2-chloro-N-dotriacontylacetamide
CID 163206961
6-amino-N-(5-amino-5-oxopentyl)hexanamide
CID 106235898
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
13-amino-N-(6-aminohexyl)-6-oxotridecanamide
CID 157314658
S-[2-(6-aminohexylamino)-2-oxoethyl] ethanethioate
CID 86603506
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-chloroacetamide?
The IUPAC name of N-(6-aminohexyl)-2-chloroacetamide (CID 14484874) is N-(6-aminohexyl)-2-chloroacetamide.
What is the SMILES notation for N-(6-aminohexyl)-2-chloroacetamide?
The canonical SMILES for N-(6-aminohexyl)-2-chloroacetamide is NCCCCCCNC(=O)CCl.
What is the InChIKey of N-(6-aminohexyl)-2-chloroacetamide?
The InChIKey is SCOZNWSPESSJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O/c9-7-8(12)11-6-4-2-1-3-5-10/h1-7,10H2,(H,11,12).
What are the key properties of N-(6-aminohexyl)-2-chloroacetamide?
N-(6-aminohexyl)-2-chloroacetamide has a molecular weight of 192.69 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2-chloroacetamide is sourced from PubChem (CID 14484874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).