N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine

C24H32N2 — CID 3006127

IUPACN'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine
SMILESc1ccc(C(CCNCCN[C@H]2C[C@@H]3CC[C@H]2C3)c2ccccc2)cc1
InChIInChI=1S/C24H32N2/c1-3-7-20(8-4-1)23(21-9-5-2-6-10-21)13-14-25-15-16-26-24-18-19-11-12-22(24)17-19/h1-10,19,22-26H,11-18H2/t19-,22+,24+/m1/s1
InChIKeySOEYDSWDRIGNJR-UCFCWBNQSA-N
MW348.53 g/mol
LogP4.58
Rot. Bonds9

About N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine

N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine (PubChem CID 3006127) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine
PubChem CID3006127
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC NameN'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine
SMILESc1ccc(C(CCNCCN[C@H]2C[C@@H]3CC[C@H]2C3)c2ccccc2)cc1
InChIInChI=1S/C24H32N2/c1-3-7-20(8-4-1)23(21-9-5-2-6-10-21)13-14-25-15-16-26-24-18-19-11-12-22(24)17-19/h1-10,19,22-26H,11-18H2/t19-,22+,24+/m1/s1
InChIKeySOEYDSWDRIGNJR-UCFCWBNQSA-N
XLogP4.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-bicyclo[2.2.1]heptanyl)-N-(3,3-diphenylpropyl)ethane-1,2-diamine
CID 504262
(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 59101629
(2R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 102451232
2-(2-bicyclo[2.2.1]heptanylamino)-2-phenylethanol
CID 63182183
N'-(2-bicyclo[2.2.1]heptanyl)-N-[3-(3,4-dimethylphenyl)propyl]ethane-1,2-diamine
CID 58270673
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-phenylacetamide
CID 129445975
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
N'-benzyl-N-(2-bicyclo[2.2.1]heptanyl)-N'-methylpropane-1,3-diamine
CID 61308766
2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone
CID 68543385
(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 98118353
(1R,5S)-6,6-dimethylbicyclo[3.1.1]heptane;N'-(3,3-diphenylpropyl)-N-ethylethane-1,2-diamine
CID 90744195
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766

Frequently Asked Questions

What is the IUPAC name of N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine (CID 3006127) is N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine is c1ccc(C(CCNCCN[C@H]2C[C@@H]3CC[C@H]2C3)c2ccccc2)cc1.
What is the InChIKey of N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine?
The InChIKey is SOEYDSWDRIGNJR-UCFCWBNQSA-N. The full InChI is InChI=1S/C24H32N2/c1-3-7-20(8-4-1)23(21-9-5-2-6-10-21)13-14-25-15-16-26-24-18-19-11-12-22(24)17-19/h1-10,19,22-26H,11-18H2/t19-,22+,24+/m1/s1.
What are the key properties of N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine?
N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine has a molecular weight of 348.53 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3,3-diphenylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 3006127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).