(2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol

C23H32N2O — CID 59051627

IUPAC(2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol
SMILESCC(C)[C@@H]([C@@H](O)CNC1CC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H32N2O/c1-18(2)23(22(26)15-24-21-13-14-21)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-12,18,21-24,26H,13-17H2,1-2H3/t22-,23-/m0/s1
InChIKeyUARABECIUUKJBO-GOTSBHOMSA-N
MW352.52 g/mol
LogP3.83
Rot. Bonds10

About (2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol

(2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol (PubChem CID 59051627) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is (2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol
PubChem CID59051627
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name(2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol
SMILESCC(C)[C@@H]([C@@H](O)CNC1CC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H32N2O/c1-18(2)23(22(26)15-24-21-13-14-21)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-12,18,21-24,26H,13-17H2,1-2H3/t22-,23-/m0/s1
InChIKeyUARABECIUUKJBO-GOTSBHOMSA-N
XLogP3.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol 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

(2R,4R,5S)-5-(dibenzylamino)-6-methylheptane-2,4-diol
CID 101401413
1-(cyclopropylamino)-3-phenylbutan-2-ol
CID 62773740
3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
CID 115720405
tert-butyl (3R,4R)-4-(dibenzylamino)-3-hydroxy-5-methylhexanoate
CID 10596976
(2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol
CID 11337812
N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine
CID 114999821
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556
(4S)-4-(dibenzylamino)-5-methylhexan-3-one
CID 14934525
2-benzyl-3-(cyclopropylamino)propan-1-ol
CID 117241557
(2S,3S)-3-N,3-N,2-tribenzyl-4-methylpentane-1,3-diamine
CID 10992685
(2S)-2-amino-N-[4-[benzyl(cyclopropyl)amino]cyclohexyl]-3-methylbutanamide
CID 66567247

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol?
The IUPAC name of (2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol (CID 59051627) is (2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol.
What is the SMILES notation for (2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol?
The canonical SMILES for (2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol is CC(C)[C@@H]([C@@H](O)CNC1CC1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol?
The InChIKey is UARABECIUUKJBO-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H32N2O/c1-18(2)23(22(26)15-24-21-13-14-21)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-12,18,21-24,26H,13-17H2,1-2H3/t22-,23-/m0/s1.
What are the key properties of (2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol?
(2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol has a molecular weight of 352.52 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(cyclopropylamino)-3-(dibenzylamino)-4-methylpentan-2-ol is sourced from PubChem (CID 59051627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).