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

C24H32N2S — CID 101112827

IUPAC2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
SMILESc1ccc(CCNC2CCC3SC2CCC3NCCc2ccccc2)cc1
InChIInChI=1S/C24H32N2S/c1-3-7-19(8-4-1)15-17-25-21-11-13-24-22(12-14-23(21)27-24)26-18-16-20-9-5-2-6-10-20/h1-10,21-26H,11-18H2
InChIKeyJJFNNIFZCRKGIR-UHFFFAOYSA-N
MW380.60 g/mol
LogP4.45
Rot. Bonds8

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

2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine (PubChem CID 101112827) has the molecular formula C24H32N2S and a molecular weight of 380.60 g/mol. Its IUPAC name is 2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
PubChem CID101112827
Molecular FormulaC24H32N2S
Molecular Weight380.60 g/mol
Exact Mass380.23
IUPAC Name2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
SMILESc1ccc(CCNC2CCC3SC2CCC3NCCc2ccccc2)cc1
InChIInChI=1S/C24H32N2S/c1-3-7-19(8-4-1)15-17-25-21-11-13-24-22(12-14-23(21)27-24)26-18-16-20-9-5-2-6-10-20/h1-10,21-26H,11-18H2
InChIKeyJJFNNIFZCRKGIR-UHFFFAOYSA-N
XLogP4.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine with MolForge

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Related Compounds

(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
(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
(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol
CID 86315413
[2-(2-phenylethylamino)cyclopentyl]methanol
CID 104864522
(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 97321645
N-(2-phenylethyl)oxan-4-amine;hydrochloride
CID 71299312
(1R,2R,3R,4R,6R)-4-methyl-6-(2-phenylethylamino)cyclohexane-1,2,3-triol
CID 101200287
5-(2-phenylethylamino)piperidin-2-one
CID 63661902
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
2-(3-phenylpropylamino)cyclohexan-1-ol
CID 45358268

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine (CID 101112827) is 2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine is c1ccc(CCNC2CCC3SC2CCC3NCCc2ccccc2)cc1.
What is the InChIKey of 2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine?
The InChIKey is JJFNNIFZCRKGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2S/c1-3-7-19(8-4-1)15-17-25-21-11-13-24-22(12-14-23(21)27-24)26-18-16-20-9-5-2-6-10-20/h1-10,21-26H,11-18H2.
What are the key properties of 2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine?
2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine has a molecular weight of 380.60 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(2-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine is sourced from PubChem (CID 101112827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).