(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride

C15H29ClN2O2 — CID 120791383

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride
SMILESCN(CCC1CCCCC1)C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-17(10-9-12-5-3-2-4-6-12)15(18)14-8-7-13(11-16)19-14;/h12-14H,2-11,16H2,1H3;1H/t13-,14+;/m1./s1
InChIKeyRIRAAMVSOPKEQT-DFQHDRSWSA-N
MW304.86 g/mol
LogP2.34
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride (PubChem CID 120791383) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride
PubChem CID120791383
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride
SMILESCN(CCC1CCCCC1)C(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-17(10-9-12-5-3-2-4-6-12)15(18)14-8-7-13(11-16)19-14;/h12-14H,2-11,16H2,1H3;1H/t13-,14+;/m1./s1
InChIKeyRIRAAMVSOPKEQT-DFQHDRSWSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]oxolane-2-carboxamide
CID 120801102
5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide
CID 112658871
(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide
CID 120784974
(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120784111
(2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxolane-2-carboxamide;dihydrochloride
CID 120800269
(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120792261
(2S,5R)-5-(aminomethyl)-N-cyclopentyl-N-propan-2-yloxolane-2-carboxamide
CID 120787762
(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide
CID 120782860
(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120791903
5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
CID 104551738
3-amino-N-(2-cyclohexylethyl)-2-hydroxy-N-methylpropanamide
CID 115180869

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride (CID 120791383) is (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride is CN(CCC1CCCCC1)C(=O)[C@@H]1CC[C@H](CN)O1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride?
The InChIKey is RIRAAMVSOPKEQT-DFQHDRSWSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-17(10-9-12-5-3-2-4-6-12)15(18)14-8-7-13(11-16)19-14;/h12-14H,2-11,16H2,1H3;1H/t13-,14+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120791383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).