N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide

C8H17ClN2O2 — CID 123810886

IUPACN-(6-aminohexyl)-2-chloro-N-hydroxyacetamide
SMILESNCCCCCCN(O)C(=O)CCl
InChIInChI=1S/C8H17ClN2O2/c9-7-8(12)11(13)6-4-2-1-3-5-10/h13H,1-7,10H2
InChIKeyAMJMYNNWBARIGK-UHFFFAOYSA-N
MW208.69 g/mol
LogP0.96
Rot. Bonds7

About N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide

N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide (PubChem CID 123810886) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2-chloro-N-hydroxyacetamide
PubChem CID123810886
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC NameN-(6-aminohexyl)-2-chloro-N-hydroxyacetamide
SMILESNCCCCCCN(O)C(=O)CCl
InChIInChI=1S/C8H17ClN2O2/c9-7-8(12)11(13)6-4-2-1-3-5-10/h13H,1-7,10H2
InChIKeyAMJMYNNWBARIGK-UHFFFAOYSA-N
XLogP0.96
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetamidopentyl)-N'-[5-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 175363738
4-[5-[[4-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoic acid
CID 175663380
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 154585411
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;gallane
CID 173092745
6-aminohexyl(carboxy)carbamic acid
CID 175058839
2-chloro-N,N-di(nonyl)acetamide
CID 533173
N'-(5-aminopentyl)-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(3-hydroxypentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 154585426
N'-(5-aminopentyl)-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy-(2-phenylacetyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 146682101
N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide
CID 162767897
4-[[4-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]-3-fluorobutyl]amino]-4-oxobutanoic acid
CID 163108984
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentoxy)butanediamide
CID 87396043
2-chloroacetic acid;dodecan-1-amine
CID 12721583

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide?
The IUPAC name of N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide (CID 123810886) is N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide.
What is the SMILES notation for N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide?
The canonical SMILES for N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide is NCCCCCCN(O)C(=O)CCl.
What is the InChIKey of N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide?
The InChIKey is AMJMYNNWBARIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O2/c9-7-8(12)11(13)6-4-2-1-3-5-10/h13H,1-7,10H2.
What are the key properties of N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide?
N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide has a molecular weight of 208.69 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2-chloro-N-hydroxyacetamide is sourced from PubChem (CID 123810886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).