(1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine

C24H32N2S — CID 10883424

IUPAC(1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
SMILESCC(N[C@@H]1CC[C@H]2S[C@@H]1CC[C@H]2NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2S/c1-17(19-9-5-3-6-10-19)25-21-13-15-24-22(14-16-23(21)27-24)26-18(2)20-11-7-4-8-12-20/h3-12,17-18,21-26H,13-16H2,1-2H3/t17?,18?,21-,22-,23-,24-/m1/s1
InChIKeyFUEVMKNJJSFLCA-RNPMEAHTSA-N
MW380.60 g/mol
LogP5.48
Rot. Bonds6

About (1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine

(1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine (PubChem CID 10883424) has the molecular formula C24H32N2S and a molecular weight of 380.60 g/mol. Its IUPAC name is (1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine.

Molecular Properties

Compound Name(1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
PubChem CID10883424
Molecular FormulaC24H32N2S
Molecular Weight380.60 g/mol
Exact Mass380.23
IUPAC Name(1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
SMILESCC(N[C@@H]1CC[C@H]2S[C@@H]1CC[C@H]2NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32N2S/c1-17(19-9-5-3-6-10-19)25-21-13-15-24-22(14-16-23(21)27-24)26-18(2)20-11-7-4-8-12-20/h3-12,17-18,21-26H,13-16H2,1-2H3/t17?,18?,21-,22-,23-,24-/m1/s1
InChIKeyFUEVMKNJJSFLCA-RNPMEAHTSA-N
XLogP5.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.60
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-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

cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
CID 10609367
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
N-(1-phenylethyl)cyclododecanamine
CID 60662638
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
CID 81351780
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine
CID 67650944
4-(1-phenylethylamino)cyclohexan-1-one
CID 85299534
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine?
The IUPAC name of (1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine (CID 10883424) is (1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine.
What is the SMILES notation for (1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine?
The canonical SMILES for (1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine is CC(N[C@@H]1CC[C@H]2S[C@@H]1CC[C@H]2NC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine?
The InChIKey is FUEVMKNJJSFLCA-RNPMEAHTSA-N. The full InChI is InChI=1S/C24H32N2S/c1-17(19-9-5-3-6-10-19)25-21-13-15-24-22(14-16-23(21)27-24)26-18(2)20-11-7-4-8-12-20/h3-12,17-18,21-26H,13-16H2,1-2H3/t17?,18?,21-,22-,23-,24-/m1/s1.
What are the key properties of (1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine?
(1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine has a molecular weight of 380.60 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine is sourced from PubChem (CID 10883424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).