2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide

C10H20IN3O — CID 88963295

IUPAC2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide
SMILESCN(C)CC(=O)NC1CCC(NI)CC1
InChIInChI=1S/C10H20IN3O/c1-14(2)7-10(15)12-8-3-5-9(13-11)6-4-8/h8-9,13H,3-7H2,1-2H3,(H,12,15)
InChIKeyHJCMIAOFIXFNNG-UHFFFAOYSA-N
MW325.19 g/mol
LogP0.92
Rot. Bonds4

About 2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide

2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide (PubChem CID 88963295) has the molecular formula C10H20IN3O and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide
PubChem CID88963295
Molecular FormulaC10H20IN3O
Molecular Weight325.19 g/mol
Exact Mass325.07
IUPAC Name2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide
SMILESCN(C)CC(=O)NC1CCC(NI)CC1
InChIInChI=1S/C10H20IN3O/c1-14(2)7-10(15)12-8-3-5-9(13-11)6-4-8/h8-9,13H,3-7H2,1-2H3,(H,12,15)
InChIKeyHJCMIAOFIXFNNG-UHFFFAOYSA-N
XLogP0.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;dihydrochloride
CID 86277381
2-(dimethylamino)-N-(3-propan-2-ylcyclopentyl)acetamide
CID 90085459
N-cyclopropyl-2-[methoxy(methyl)amino]acetamide
CID 131224480
2-(dimethylamino)-N-(3-prop-1-en-2-ylcyclobutyl)acetamide
CID 167184849
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate
CID 161291088
N-(6-bicyclo[3.1.0]hexanyl)-2-(dimethylamino)acetamide
CID 130670911
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
2-[acetyl(propyl)amino]-N-cyclopropylacetamide
CID 113157902
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 60700103
2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
CID 60677002

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide (CID 88963295) is 2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide is CN(C)CC(=O)NC1CCC(NI)CC1.
What is the InChIKey of 2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide?
The InChIKey is HJCMIAOFIXFNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20IN3O/c1-14(2)7-10(15)12-8-3-5-9(13-11)6-4-8/h8-9,13H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide?
2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide has a molecular weight of 325.19 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(iodoamino)cyclohexyl]acetamide is sourced from PubChem (CID 88963295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).