2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine

C27H38N2 — CID 10069001

IUPAC2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine
SMILESCC(CNCC(c1ccccc1)c1ccccc1)NCC1C[C@@H]2C[C@H](C1)C2(C)C
InChIInChI=1S/C27H38N2/c1-20(29-18-21-14-24-16-25(15-21)27(24,2)3)17-28-19-26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20-21,24-26,28-29H,14-19H2,1-3H3/t20?,21?,24-,25+
InChIKeyMMOZMQPIUCKWNT-SDAXMRTPSA-N
MW390.62 g/mol
LogP5.46
Rot. Bonds9

About 2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine

2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine (PubChem CID 10069001) has the molecular formula C27H38N2 and a molecular weight of 390.62 g/mol. Its IUPAC name is 2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine
PubChem CID10069001
Molecular FormulaC27H38N2
Molecular Weight390.62 g/mol
Exact Mass390.30
IUPAC Name2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine
SMILESCC(CNCC(c1ccccc1)c1ccccc1)NCC1C[C@@H]2C[C@H](C1)C2(C)C
InChIInChI=1S/C27H38N2/c1-20(29-18-21-14-24-16-25(15-21)27(24,2)3)17-28-19-26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20-21,24-26,28-29H,14-19H2,1-3H3/t20?,21?,24-,25+
InChIKeyMMOZMQPIUCKWNT-SDAXMRTPSA-N
XLogP5.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.62
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine with MolForge

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Related Compounds

N-(2,2-diphenylethyl)-2-ethylbutan-1-amine
CID 103603252
N-(cyclobutylmethyl)-2,2-diphenylethanamine
CID 107292720
N-(cyclopentylmethyl)-2,2-diphenylethanamine
CID 107292721
N-(2,2-diphenylethyl)-2-methylbutan-1-amine
CID 107292737
2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine
CID 106892854
3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol
CID 66004568
2-N-(2,2-diphenylethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 107292758
N-(2,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 103897213
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
(1R,5S)-6,6-dimethylbicyclo[3.1.1]heptane;N'-(3,3-diphenylpropyl)-N-ethylethane-1,2-diamine
CID 90744195
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703

Frequently Asked Questions

What is the IUPAC name of 2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine (CID 10069001) is 2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine is CC(CNCC(c1ccccc1)c1ccccc1)NCC1C[C@@H]2C[C@H](C1)C2(C)C.
What is the InChIKey of 2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine?
The InChIKey is MMOZMQPIUCKWNT-SDAXMRTPSA-N. The full InChI is InChI=1S/C27H38N2/c1-20(29-18-21-14-24-16-25(15-21)27(24,2)3)17-28-19-26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20-21,24-26,28-29H,14-19H2,1-3H3/t20?,21?,24-,25+.
What are the key properties of 2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine?
2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine has a molecular weight of 390.62 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine is sourced from PubChem (CID 10069001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).