N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide

C10H18INO — CID 106829059

IUPACN-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCI)CCCCC1
InChIInChI=1S/C10H18INO/c1-10(5-3-2-4-6-10)9(13)12-8-7-11/h2-8H2,1H3,(H,12,13)
InChIKeyYYGYSWUVMVBMDU-UHFFFAOYSA-N
MW295.16 g/mol
LogP2.51
Rot. Bonds3

About N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide

N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106829059) has the molecular formula C10H18INO and a molecular weight of 295.16 g/mol. Its IUPAC name is N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
PubChem CID106829059
Molecular FormulaC10H18INO
Molecular Weight295.16 g/mol
Exact Mass295.04
IUPAC NameN-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NCCI)CCCCC1
InChIInChI=1S/C10H18INO/c1-10(5-3-2-4-6-10)9(13)12-8-7-11/h2-8H2,1H3,(H,12,13)
InChIKeyYYGYSWUVMVBMDU-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
N-[2-(dimethylamino)ethyl]-1-methylcyclopentane-1-carboxamide;ethane
CID 142896714
N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
CID 106825990
N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide
CID 106827286
N-(3-amino-3-sulfanylidenepropyl)-1-methylcyclohexane-1-carboxamide
CID 106827346
N-[2-(cycloheptylamino)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106828092
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
N-hex-5-ynyl-1-methylcyclohexane-1-carboxamide
CID 105056307
2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid
CID 106826363
N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106828991
N-[(1-aminocyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 119404713
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
CID 105060872

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide (CID 106829059) is N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NCCI)CCCCC1.
What is the InChIKey of N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is YYGYSWUVMVBMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INO/c1-10(5-3-2-4-6-10)9(13)12-8-7-11/h2-8H2,1H3,(H,12,13).
What are the key properties of N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide?
N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 295.16 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106829059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).