N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride

C12H23ClN2O3 — CID 119259789

IUPACN-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)C2COCCO2)CCCCC1
InChIInChI=1S/C12H22N2O3.ClH/c13-12(4-2-1-3-5-12)9-14-11(15)10-8-16-6-7-17-10;/h10H,1-9,13H2,(H,14,15);1H
InChIKeyADJHNSMZTOKJJN-UHFFFAOYSA-N
MW278.78 g/mol
LogP0.60
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride (PubChem CID 119259789) has the molecular formula C12H23ClN2O3 and a molecular weight of 278.78 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride
PubChem CID119259789
Molecular FormulaC12H23ClN2O3
Molecular Weight278.78 g/mol
Exact Mass278.14
IUPAC NameN-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)C2COCCO2)CCCCC1
InChIInChI=1S/C12H22N2O3.ClH/c13-12(4-2-1-3-5-12)9-14-11(15)10-8-16-6-7-17-10;/h10H,1-9,13H2,(H,14,15);1H
InChIKeyADJHNSMZTOKJJN-UHFFFAOYSA-N
XLogP0.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide
CID 63755659
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
1-[(1,4-dioxane-2-carbonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441028
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
N-[(1-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119404189
N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide
CID 55023761
N-[2-(cycloheptylamino)ethyl]-1,4-dioxane-2-carboxamide
CID 81424330
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339
N-(6-bromohexyl)-1,4-dioxane-2-carboxamide
CID 107847920
methyl 1-(1,4-dioxane-2-carbonylamino)cycloheptane-1-carboxylate
CID 47182071
(1-aminocyclohexyl)methylurea
CID 61298669

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride (CID 119259789) is N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride is Cl.NC1(CNC(=O)C2COCCO2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride?
The InChIKey is ADJHNSMZTOKJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.ClH/c13-12(4-2-1-3-5-12)9-14-11(15)10-8-16-6-7-17-10;/h10H,1-9,13H2,(H,14,15);1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-1,4-dioxane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119259789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).