N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine

C36H54B2N2 — CID 59967269

IUPACN-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine
SMILESC[C@@H]1CC2C(c3ccccc3)CCCC2C1B(B(C1C2CCCC(c3ccccc3)C2C[C@H]1C)N(C)C)N(C)C
InChIInChI=1S/C36H54B2N2/c1-25-23-33-29(27-15-9-7-10-16-27)19-13-21-31(33)35(25)37(39(3)4)38(40(5)6)36-26(2)24-34-30(20-14-22-32(34)36)28-17-11-8-12-18-28/h7-12,15-18,25-26,29-36H,13-14,19-24H2,1-6H3/t25-,26-,29?,30?,31?,32?,33?,34?,35?,36?/m1/s1
InChIKeyVLSWSUTUXPZKRH-WSCKYEFYSA-N
MW536.47 g/mol
LogP8.39
Rot. Bonds7

About N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine

N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine (PubChem CID 59967269) has the molecular formula C36H54B2N2 and a molecular weight of 536.47 g/mol. Its IUPAC name is N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine
PubChem CID59967269
Molecular FormulaC36H54B2N2
Molecular Weight536.47 g/mol
Exact Mass536.45
IUPAC NameN-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine
SMILESC[C@@H]1CC2C(c3ccccc3)CCCC2C1B(B(C1C2CCCC(c3ccccc3)C2C[C@H]1C)N(C)C)N(C)C
InChIInChI=1S/C36H54B2N2/c1-25-23-33-29(27-15-9-7-10-16-27)19-13-21-31(33)35(25)37(39(3)4)38(40(5)6)36-26(2)24-34-30(20-14-22-32(34)36)28-17-11-8-12-18-28/h7-12,15-18,25-26,29-36H,13-14,19-24H2,1-6H3/t25-,26-,29?,30?,31?,32?,33?,34?,35?,36?/m1/s1
InChIKeyVLSWSUTUXPZKRH-WSCKYEFYSA-N
XLogP8.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.47
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine with MolForge

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Related Compounds

N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine
CID 11826984
N-[bis(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)boranyl]-N-propan-2-ylpropan-2-amine
CID 58861200
methyl-bis[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]borane
CID 59967268
N-[bis[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine
CID 59967271
N-[[(2R)-4-phenyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[(2S)-4-phenyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-propan-2-ylpropan-2-amine
CID 59967272
N-[[(2R)-2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl]-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)boranyl]-N-propan-2-ylpropan-2-amine
CID 60003226
methyl-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)borane
CID 60003229
N-methyl-N-[[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)boranyl]methanamine
CID 60003230
N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)boranyl]-N-methylmethanamine
CID 60003231
cyclohexyl-methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)boranuide
CID 60065540
N-[[dimethylamino-(2-methyl-4-phenyl-1H-inden-1-yl)boranyl]-(2-methyl-4-phenyl-1H-inden-1-yl)boranyl]-N-methylmethanamine
CID 69777660
N-[bis(2-methyl-4-phenyl-1H-inden-1-yl)boranyl]-N-methylmethanamine
CID 69791513

Frequently Asked Questions

What is the IUPAC name of N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine?
The IUPAC name of N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine (CID 59967269) is N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine.
What is the SMILES notation for N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine?
The canonical SMILES for N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine is C[C@@H]1CC2C(c3ccccc3)CCCC2C1B(B(C1C2CCCC(c3ccccc3)C2C[C@H]1C)N(C)C)N(C)C.
What is the InChIKey of N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine?
The InChIKey is VLSWSUTUXPZKRH-WSCKYEFYSA-N. The full InChI is InChI=1S/C36H54B2N2/c1-25-23-33-29(27-15-9-7-10-16-27)19-13-21-31(33)35(25)37(39(3)4)38(40(5)6)36-26(2)24-34-30(20-14-22-32(34)36)28-17-11-8-12-18-28/h7-12,15-18,25-26,29-36H,13-14,19-24H2,1-6H3/t25-,26-,29?,30?,31?,32?,33?,34?,35?,36?/m1/s1.
What are the key properties of N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine?
N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine has a molecular weight of 536.47 g/mol, XLogP of 8.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dimethylamino-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-[(2R)-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]boranyl]-N-methylmethanamine is sourced from PubChem (CID 59967269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).