(2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol

C23H39N3O — CID 24792596

IUPAC(2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol
SMILESCNC[C@H](CC1CCCCC1)NC[C@H](CO)NCC1(c2ccccc2)CC1
InChIInChI=1S/C23H39N3O/c1-24-15-21(14-19-8-4-2-5-9-19)25-16-22(17-27)26-18-23(12-13-23)20-10-6-3-7-11-20/h3,6-7,10-11,19,21-22,24-27H,2,4-5,8-9,12-18H2,1H3/t21-,22+/m0/s1
InChIKeyJWUMTZQBXUPHNJ-FCHUYYIVSA-N
MW373.59 g/mol
LogP2.82
Rot. Bonds12

About (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol

(2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol (PubChem CID 24792596) has the molecular formula C23H39N3O and a molecular weight of 373.59 g/mol. Its IUPAC name is (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol
PubChem CID24792596
Molecular FormulaC23H39N3O
Molecular Weight373.59 g/mol
Exact Mass373.31
IUPAC Name(2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol
SMILESCNC[C@H](CC1CCCCC1)NC[C@H](CO)NCC1(c2ccccc2)CC1
InChIInChI=1S/C23H39N3O/c1-24-15-21(14-19-8-4-2-5-9-19)25-16-22(17-27)26-18-23(12-13-23)20-10-6-3-7-11-20/h3,6-7,10-11,19,21-22,24-27H,2,4-5,8-9,12-18H2,1H3/t21-,22+/m0/s1
InChIKeyJWUMTZQBXUPHNJ-FCHUYYIVSA-N
XLogP2.82
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol?
The IUPAC name of (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol (CID 24792596) is (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol is CNC[C@H](CC1CCCCC1)NC[C@H](CO)NCC1(c2ccccc2)CC1.
What is the InChIKey of (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol?
The InChIKey is JWUMTZQBXUPHNJ-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H39N3O/c1-24-15-21(14-19-8-4-2-5-9-19)25-16-22(17-27)26-18-23(12-13-23)20-10-6-3-7-11-20/h3,6-7,10-11,19,21-22,24-27H,2,4-5,8-9,12-18H2,1H3/t21-,22+/m0/s1.
What are the key properties of (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol?
(2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol has a molecular weight of 373.59 g/mol, XLogP of 2.82, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]propan-1-ol is sourced from PubChem (CID 24792596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).