N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide

C13H25N3O2 — CID 143733177

IUPACN-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide
SMILESCNCC1CCCCC1C(=O)NCCNC(C)=O
InChIInChI=1S/C13H25N3O2/c1-10(17)15-7-8-16-13(18)12-6-4-3-5-11(12)9-14-2/h11-12,14H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyOSJJLABMNPGOPO-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.26
Rot. Bonds6

About N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide

N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide (PubChem CID 143733177) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide
PubChem CID143733177
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide
SMILESCNCC1CCCCC1C(=O)NCCNC(C)=O
InChIInChI=1S/C13H25N3O2/c1-10(17)15-7-8-16-13(18)12-6-4-3-5-11(12)9-14-2/h11-12,14H,3-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyOSJJLABMNPGOPO-UHFFFAOYSA-N
XLogP0.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
N-(2-acetamidoethyl)-2-(ethylamino)cyclopentane-1-carboxamide
CID 118101644
1-[2-(methylaminomethyl)cyclopentyl]propan-1-one
CID 166977994
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
2-(aminomethyl)-N-[2-(methylsulfamoyl)ethyl]cyclopentane-1-carboxamide
CID 114175192
N-[2-(dimethylamino)ethyl]-2-(3,3-dimethyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 123651432
cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide
CID 138462120
N-[2-[[2-(hydroxymethyl)cyclopentyl]methylamino]ethyl]acetamide
CID 107529594
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
2-hydroxy-N-[3-(2-hydroxycyclohexyl)propyl]cyclopentane-1-carboxamide
CID 110016444
(1S)-2-(methylaminomethyl)cyclohexan-1-amine
CID 129138174

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide (CID 143733177) is N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide is CNCC1CCCCC1C(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide?
The InChIKey is OSJJLABMNPGOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(17)15-7-8-16-13(18)12-6-4-3-5-11(12)9-14-2/h11-12,14H,3-9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide?
N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(methylaminomethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 143733177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).