N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide

C12H22N2O3 — CID 63755659

IUPACN-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide
SMILESNCC1(NC(=O)C2COCCO2)CCCCC1
InChIInChI=1S/C12H22N2O3/c13-9-12(4-2-1-3-5-12)14-11(15)10-8-16-6-7-17-10/h10H,1-9,13H2,(H,14,15)
InChIKeyQCFPHYYVLAALRL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.18
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide

N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide (PubChem CID 63755659) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide
PubChem CID63755659
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide
SMILESNCC1(NC(=O)C2COCCO2)CCCCC1
InChIInChI=1S/C12H22N2O3/c13-9-12(4-2-1-3-5-12)14-11(15)10-8-16-6-7-17-10/h10H,1-9,13H2,(H,14,15)
InChIKeyQCFPHYYVLAALRL-UHFFFAOYSA-N
XLogP0.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)-4-methylcyclohexyl]-1,4-dioxane-2-carboxamide
CID 63767249
N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide
CID 55023761
N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride
CID 119259789
methyl 1-(1,4-dioxane-2-carbonylamino)cycloheptane-1-carboxylate
CID 47182071
N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide
CID 81327458
N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide
CID 63767807
N-[1-(aminomethyl)cyclohexyl]adamantane-2-carboxamide
CID 81099191
N-[1-(aminomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475793
N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003388
N-[1-(aminomethyl)cyclopentyl]-3-(oxolan-3-yl)propanamide
CID 119567070
N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63754394
N-[3-(aminomethyl)pentan-3-yl]-1,4-dioxane-2-carboxamide;hydrochloride
CID 119260774

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide (CID 63755659) is N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide is NCC1(NC(=O)C2COCCO2)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide?
The InChIKey is QCFPHYYVLAALRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-9-12(4-2-1-3-5-12)14-11(15)10-8-16-6-7-17-10/h10H,1-9,13H2,(H,14,15).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide?
N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 63755659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).