(5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol

C32H36N2O — CID 70292967

IUPAC(5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol
SMILESN[C@@H](Cc1ccccc1)CC(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H36N2O/c33-30(21-26-13-5-1-6-14-26)23-32(35)31(22-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-32,35H,21-25,33H2/t30-,31?,32?/m0/s1
InChIKeySRVJQTROLWUZRB-NVVYMUDLSA-N
MW464.65 g/mol
LogP5.62
Rot. Bonds12

About (5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol

(5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol (PubChem CID 70292967) has the molecular formula C32H36N2O and a molecular weight of 464.65 g/mol. Its IUPAC name is (5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol.

Molecular Properties

Compound Name(5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol
PubChem CID70292967
Molecular FormulaC32H36N2O
Molecular Weight464.65 g/mol
Exact Mass464.28
IUPAC Name(5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol
SMILESN[C@@H](Cc1ccccc1)CC(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H36N2O/c33-30(21-26-13-5-1-6-14-26)23-32(35)31(22-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-32,35H,21-25,33H2/t30-,31?,32?/m0/s1
InChIKeySRVJQTROLWUZRB-NVVYMUDLSA-N
XLogP5.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol
CID 11142964
(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol
CID 58894379
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(2R,3S)-1-chloro-3-(dibenzylamino)-4-phenylbutan-2-ol;hydrochloride
CID 69339752
CID 158135055
CID 158135055
[3-(dibenzylamino)-2-hydroxy-4-phenylbutyl] acetate
CID 53395265
ethyl (3S,4S)-4-(dibenzylamino)-3-hydroxy-5-phenylpentanoate
CID 14463509
(2R,3S)-3-(dibenzylamino)-1-dimethoxyphosphoryl-4-phenylbutan-2-ol
CID 11190239
(2S,3R)-4-amino-2-(dibenzylamino)-1-phenyloct-7-en-3-ol
CID 69017314
[(2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenylbutyl] pent-2-enoate
CID 57354978
methyl (2S,4S,5S)-2-benzyl-5-(dibenzylamino)-4-hydroxyoctanoate
CID 10790107
[(2S,3S,5S)-5-amino-3-hydroxy-1-[4-(4-methyl-2-pyridinyl)phenyl]-6-phenylhexan-2-yl]-benzylcarbamic acid
CID 67407854

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol?
The IUPAC name of (5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol (CID 70292967) is (5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol.
What is the SMILES notation for (5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol?
The canonical SMILES for (5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol is N[C@@H](Cc1ccccc1)CC(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol?
The InChIKey is SRVJQTROLWUZRB-NVVYMUDLSA-N. The full InChI is InChI=1S/C32H36N2O/c33-30(21-26-13-5-1-6-14-26)23-32(35)31(22-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-32,35H,21-25,33H2/t30-,31?,32?/m0/s1.
What are the key properties of (5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol?
(5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol has a molecular weight of 464.65 g/mol, XLogP of 5.62, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol is sourced from PubChem (CID 70292967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).