(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol

C18H24N2O — CID 22885973

IUPAC(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
SMILESN[C@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H24N2O/c19-16(11-14-7-3-1-4-8-14)13-18(21)17(20)12-15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19-20H2/t16-,17+,18+/m1/s1
InChIKeyBIZHLXOOWGXFLC-SQNIBIBYSA-N
MW284.40 g/mol
LogP1.88
Rot. Bonds7

About (2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol

(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol (PubChem CID 22885973) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol.

Molecular Properties

Compound Name(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
PubChem CID22885973
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
SMILESN[C@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H24N2O/c19-16(11-14-7-3-1-4-8-14)13-18(21)17(20)12-15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19-20H2/t16-,17+,18+/m1/s1
InChIKeyBIZHLXOOWGXFLC-SQNIBIBYSA-N
XLogP1.88
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
CID 89399982
(5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol
CID 70292967
[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate
CID 69257317
(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile
CID 70364729
(2S,3S,5S)-2-amino-1-phenyl-5-propan-2-ylhept-6-en-3-ol
CID 57225946
(2R,4S,5S)-5-amino-2-benzyl-6-(4-fluorophenyl)-4-hydroxyhexanoic acid
CID 22874192
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
(2S,3R,4S)-2-amino-6-methyl-1-phenylheptane-3,4-diol
CID 10585964
3,4-diamino-1-phenylbutan-2-ol
CID 66646271
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol?
The IUPAC name of (2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol (CID 22885973) is (2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol.
What is the SMILES notation for (2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol?
The canonical SMILES for (2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol is N[C@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol?
The InChIKey is BIZHLXOOWGXFLC-SQNIBIBYSA-N. The full InChI is InChI=1S/C18H24N2O/c19-16(11-14-7-3-1-4-8-14)13-18(21)17(20)12-15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19-20H2/t16-,17+,18+/m1/s1.
What are the key properties of (2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol?
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol has a molecular weight of 284.40 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol is sourced from PubChem (CID 22885973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).