cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide

C26H42N2O2 — CID 162525463

IUPACcyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCNC(=O)C1(C)CC2CC(c3ccccc3)(CC(C)C2(C)O)C1.NC1CCCCC1
InChIInChI=1S/C20H29NO2.C6H13N/c1-14-10-20(15-8-6-5-7-9-15)12-16(19(14,3)23)11-18(2,13-20)17(22)21-4;7-6-4-2-1-3-5-6/h5-9,14,16,23H,10-13H2,1-4H3,(H,21,22);6H,1-5,7H2
InChIKeyWPCXPRGNUVWCMT-UHFFFAOYSA-N
MW414.63 g/mol
LogP4.55
Rot. Bonds2

About cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide

cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 162525463) has the molecular formula C26H42N2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Namecyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID162525463
Molecular FormulaC26H42N2O2
Molecular Weight414.63 g/mol
Exact Mass414.32
IUPAC Namecyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCNC(=O)C1(C)CC2CC(c3ccccc3)(CC(C)C2(C)O)C1.NC1CCCCC1
InChIInChI=1S/C20H29NO2.C6H13N/c1-14-10-20(15-8-6-5-7-9-15)12-16(19(14,3)23)11-18(2,13-20)17(22)21-4;7-6-4-2-1-3-5-6/h5-9,14,16,23H,10-13H2,1-4H3,(H,21,22);6H,1-5,7H2
InChIKeyWPCXPRGNUVWCMT-UHFFFAOYSA-N
XLogP4.55
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-methyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 162754696
(7S)-N-cyclohexyl-7-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519787
3,3,6,6,7-pentamethyl-1-phenylbicyclo[3.3.1]nonane
CID 162525772
N-(4-aminocyclohexyl)-5-(methylsulfanylmethyl)-7-phenyladamantane-2-carboxamide
CID 162525387
N-(4-aminocyclohexyl)-3-phenyl-1'-phenylmethoxyspiro[adamantane-6,2'-aziridine]-1-carboxamide
CID 175626949
N-[4-(aminomethyl)cyclohexyl]-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 142519882
3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 162525913
cyclohexanamine;6-ethyl-3,7-dimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbothialdehyde
CID 162525919
N-cyclohexyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane-3-carbothioamide;methanamine
CID 162525710
cyclohexanamine;3,7-dimethyl-7-(nitrosomethyl)-1-phenylbicyclo[3.3.1]nonane-3-carbaldehyde
CID 162754693
(4-aminoazepan-1-yl)-(3-methyl-5-phenyl-1-adamantyl)methanone
CID 142519878
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide (CID 162525463) is cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide is CNC(=O)C1(C)CC2CC(c3ccccc3)(CC(C)C2(C)O)C1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is WPCXPRGNUVWCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2.C6H13N/c1-14-10-20(15-8-6-5-7-9-15)12-16(19(14,3)23)11-18(2,13-20)17(22)21-4;7-6-4-2-1-3-5-6/h5-9,14,16,23H,10-13H2,1-4H3,(H,21,22);6H,1-5,7H2.
What are the key properties of cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 414.63 g/mol, XLogP of 4.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;6-hydroxy-N,3,6,7-tetramethyl-1-phenylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 162525463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).