N-(6-aminohexyl)-2-iodoacetamide

C8H17IN2O — CID 129106348

IUPACN-(6-aminohexyl)-2-iodoacetamide
SMILESNCCCCCCNC(=O)CI
InChIInChI=1S/C8H17IN2O/c9-7-8(12)11-6-4-2-1-3-5-10/h1-7,10H2,(H,11,12)
InChIKeyYOTBYHJEDXVPIH-UHFFFAOYSA-N
MW284.14 g/mol
LogP1.06
Rot. Bonds7

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

N-(6-aminohexyl)-2-iodoacetamide (PubChem CID 129106348) has the molecular formula C8H17IN2O and a molecular weight of 284.14 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-iodoacetamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2-iodoacetamide
PubChem CID129106348
Molecular FormulaC8H17IN2O
Molecular Weight284.14 g/mol
Exact Mass284.04
IUPAC NameN-(6-aminohexyl)-2-iodoacetamide
SMILESNCCCCCCNC(=O)CI
InChIInChI=1S/C8H17IN2O/c9-7-8(12)11-6-4-2-1-3-5-10/h1-7,10H2,(H,11,12)
InChIKeyYOTBYHJEDXVPIH-UHFFFAOYSA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 51.06
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(7-aminoheptyl)-2-iodoacetamide;2,2,2-trifluoroacetic acid
CID 164577522
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
CID 89207186
CID 89207186
N-(6-acetamidohexyl)-2-iodoacetamide
CID 89340654
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
5-[(2-iodoacetyl)amino]pentanoic acid
CID 3080900

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-iodoacetamide?
The IUPAC name of N-(6-aminohexyl)-2-iodoacetamide (CID 129106348) is N-(6-aminohexyl)-2-iodoacetamide.
What is the SMILES notation for N-(6-aminohexyl)-2-iodoacetamide?
The canonical SMILES for N-(6-aminohexyl)-2-iodoacetamide is NCCCCCCNC(=O)CI.
What is the InChIKey of N-(6-aminohexyl)-2-iodoacetamide?
The InChIKey is YOTBYHJEDXVPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IN2O/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-iodoacetamide?
N-(6-aminohexyl)-2-iodoacetamide has a molecular weight of 284.14 g/mol, XLogP of 1.06, 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-iodoacetamide is sourced from PubChem (CID 129106348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).