N-hexyl-3-iodo-N-methylprop-2-ynamide

C10H16INO — CID 139991390

IUPACN-hexyl-3-iodo-N-methylprop-2-ynamide
SMILESCCCCCCN(C)C(=O)C#CI
InChIInChI=1S/C10H16INO/c1-3-4-5-6-9-12(2)10(13)7-8-11/h3-6,9H2,1-2H3
InChIKeyNKIQPYLRJWVJDJ-UHFFFAOYSA-N
MW293.15 g/mol
LogP2.42
Rot. Bonds5

About N-hexyl-3-iodo-N-methylprop-2-ynamide

N-hexyl-3-iodo-N-methylprop-2-ynamide (PubChem CID 139991390) has the molecular formula C10H16INO and a molecular weight of 293.15 g/mol. Its IUPAC name is N-hexyl-3-iodo-N-methylprop-2-ynamide.

Molecular Properties

Compound NameN-hexyl-3-iodo-N-methylprop-2-ynamide
PubChem CID139991390
Molecular FormulaC10H16INO
Molecular Weight293.15 g/mol
Exact Mass293.03
IUPAC NameN-hexyl-3-iodo-N-methylprop-2-ynamide
SMILESCCCCCCN(C)C(=O)C#CI
InChIInChI=1S/C10H16INO/c1-3-4-5-6-9-12(2)10(13)7-8-11/h3-6,9H2,1-2H3
InChIKeyNKIQPYLRJWVJDJ-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-hexyl-N-methylcarbamoyl chloride
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N-methyl-N-octylheptacosanamide
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N-methyl-N-octylnonanamide
CID 140654825
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
methyl N-hexyl-N-methylcarbamate
CID 14923771
1-(dioctylcarbamoyl)-1-methyl-3,3-dioctylurea
CID 142318742
ethyl N-methyl-N-octylcarbamate
CID 15790108
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-iodo-N-methylprop-2-ynamide?
The IUPAC name of N-hexyl-3-iodo-N-methylprop-2-ynamide (CID 139991390) is N-hexyl-3-iodo-N-methylprop-2-ynamide.
What is the SMILES notation for N-hexyl-3-iodo-N-methylprop-2-ynamide?
The canonical SMILES for N-hexyl-3-iodo-N-methylprop-2-ynamide is CCCCCCN(C)C(=O)C#CI.
What is the InChIKey of N-hexyl-3-iodo-N-methylprop-2-ynamide?
The InChIKey is NKIQPYLRJWVJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO/c1-3-4-5-6-9-12(2)10(13)7-8-11/h3-6,9H2,1-2H3.
What are the key properties of N-hexyl-3-iodo-N-methylprop-2-ynamide?
N-hexyl-3-iodo-N-methylprop-2-ynamide has a molecular weight of 293.15 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-iodo-N-methylprop-2-ynamide is sourced from PubChem (CID 139991390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).