(2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride

C16H33Cl2N3O2 — CID 120798867

IUPAC(2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride
SMILESCC1CCCC(CNC(=O)[C@@H]2CC[C@H](CN)O2)(N(C)C)C1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-12-5-4-8-16(9-12,19(2)3)11-18-15(20)14-7-6-13(10-17)21-14;;/h12-14H,4-11,17H2,1-3H3,(H,18,20);2*1H/t12?,13-,14+,16?;;/m1../s1
InChIKeyVETGNGFXXNFYBE-DGRYCHNVSA-N
MW370.37 g/mol
LogP1.96
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride (PubChem CID 120798867) has the molecular formula C16H33Cl2N3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride
PubChem CID120798867
Molecular FormulaC16H33Cl2N3O2
Molecular Weight370.37 g/mol
Exact Mass369.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride
SMILESCC1CCCC(CNC(=O)[C@@H]2CC[C@H](CN)O2)(N(C)C)C1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-12-5-4-8-16(9-12,19(2)3)11-18-15(20)14-7-6-13(10-17)21-14;;/h12-14H,4-11,17H2,1-3H3,(H,18,20);2*1H/t12?,13-,14+,16?;;/m1../s1
InChIKeyVETGNGFXXNFYBE-DGRYCHNVSA-N
XLogP1.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide
CID 83110105
(2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide
CID 120800926
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]oxolane-2-carboxamide
CID 120794770
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 61211937
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 63045578
(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 103814097
5-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688874
(2S,5R)-5-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120795481

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride (CID 120798867) is (2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride is CC1CCCC(CNC(=O)[C@@H]2CC[C@H](CN)O2)(N(C)C)C1.Cl.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride?
The InChIKey is VETGNGFXXNFYBE-DGRYCHNVSA-N. The full InChI is InChI=1S/C16H31N3O2.2ClH/c1-12-5-4-8-16(9-12,19(2)3)11-18-15(20)14-7-6-13(10-17)21-14;;/h12-14H,4-11,17H2,1-3H3,(H,18,20);2*1H/t12?,13-,14+,16?;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120798867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).