1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride

C20H39Cl2N3O2 — CID 119883003

IUPAC1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCC1(C)CN(C2(CNC(=O)C3(N)CCCCC3)CCCCC2)CCO1.Cl.Cl
InChIInChI=1S/C20H37N3O2.2ClH/c1-18(2)16-23(13-14-25-18)19(9-5-3-6-10-19)15-22-17(24)20(21)11-7-4-8-12-20;;/h3-16,21H2,1-2H3,(H,22,24);2*1H
InChIKeyLAGKNBHLOIBMBJ-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.42
Rot. Bonds4

About 1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119883003) has the molecular formula C20H39Cl2N3O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119883003
Molecular FormulaC20H39Cl2N3O2
Molecular Weight424.46 g/mol
Exact Mass423.24
IUPAC Name1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCC1(C)CN(C2(CNC(=O)C3(N)CCCCC3)CCCCC2)CCO1.Cl.Cl
InChIInChI=1S/C20H37N3O2.2ClH/c1-18(2)16-23(13-14-25-18)19(9-5-3-6-10-19)15-22-17(24)20(21)11-7-4-8-12-20;;/h3-16,21H2,1-2H3,(H,22,24);2*1H
InChIKeyLAGKNBHLOIBMBJ-UHFFFAOYSA-N
XLogP3.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide
CID 119882992
3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122001444
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2-ethylbenzamide
CID 138058577
2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646616
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 56784186
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079
1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886673
1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119862780
1-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119158572
1-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119322718
4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120941831
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119883003) is 1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride is CC1(C)CN(C2(CNC(=O)C3(N)CCCCC3)CCCCC2)CCO1.Cl.Cl.
What is the InChIKey of 1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is LAGKNBHLOIBMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2.2ClH/c1-18(2)16-23(13-14-25-18)19(9-5-3-6-10-19)15-22-17(24)20(21)11-7-4-8-12-20;;/h3-16,21H2,1-2H3,(H,22,24);2*1H.
What are the key properties of 1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 424.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119883003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).