(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride

C21H33ClN2O — CID 164904797

IUPAC(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCc1ccc2c(c1)CCNC2.Cl
InChIInChI=1S/C21H32N2O.ClH/c1-14(2)19-7-4-15(3)10-20(19)21(24)23-12-16-5-6-18-13-22-9-8-17(18)11-16;/h5-6,11,14-15,19-20,22H,4,7-10,12-13H2,1-3H3,(H,23,24);1H/t15-,19+,20-;/m1./s1
InChIKeyYTFUXVXIUIPZSF-JEWXFCQKSA-N
MW364.96 g/mol
LogP4.08
Rot. Bonds4

About (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride

(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 164904797) has the molecular formula C21H33ClN2O and a molecular weight of 364.96 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID164904797
Molecular FormulaC21H33ClN2O
Molecular Weight364.96 g/mol
Exact Mass364.23
IUPAC Name(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCc1ccc2c(c1)CCNC2.Cl
InChIInChI=1S/C21H32N2O.ClH/c1-14(2)19-7-4-15(3)10-20(19)21(24)23-12-16-5-6-18-13-22-9-8-17(18)11-16;/h5-6,11,14-15,19-20,22H,4,7-10,12-13H2,1-3H3,(H,23,24);1H/t15-,19+,20-;/m1./s1
InChIKeyYTFUXVXIUIPZSF-JEWXFCQKSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.96
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,5R)-5-methyl-N-[[4-(piperazin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylcyclohexane-1-carboxamide;dihydrochloride
CID 164904784
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
(1R,2S,5R)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 164904811
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
CID 59860935
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 164904741
(2R)-2-amino-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)butanamide
CID 167820235
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 83963309
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
(1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992353

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride (CID 164904797) is (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCc1ccc2c(c1)CCNC2.Cl.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YTFUXVXIUIPZSF-JEWXFCQKSA-N. The full InChI is InChI=1S/C21H32N2O.ClH/c1-14(2)19-7-4-15(3)10-20(19)21(24)23-12-16-5-6-18-13-22-9-8-17(18)11-16;/h5-6,11,14-15,19-20,22H,4,7-10,12-13H2,1-3H3,(H,23,24);1H/t15-,19+,20-;/m1./s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 364.96 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 164904797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).