(1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine

C34H38N10 — CID 45483274

IUPAC(1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine
SMILESCC(C)[C@H](N)c1cn([C@@H](Cc2ccccc2)c2cn([C@@H](Cc3ccccc3)c3cn([C@H](C)c4ccccc4)nn3)nn2)nn1
InChIInChI=1S/C34H38N10/c1-24(2)34(35)31-23-44(41-38-31)33(20-27-15-9-5-10-16-27)30-22-43(40-37-30)32(19-26-13-7-4-8-14-26)29-21-42(39-36-29)25(3)28-17-11-6-12-18-28/h4-18,21-25,32-34H,19-20,35H2,1-3H3/t25-,32+,33+,34+/m1/s1
InChIKeyGZEUUNLHCQFCOC-GTAPEUFRSA-N
MW586.75 g/mol
LogP5.39
Rot. Bonds12

About (1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine

(1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine (PubChem CID 45483274) has the molecular formula C34H38N10 and a molecular weight of 586.75 g/mol. Its IUPAC name is (1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine
PubChem CID45483274
Molecular FormulaC34H38N10
Molecular Weight586.75 g/mol
Exact Mass586.33
IUPAC Name(1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine
SMILESCC(C)[C@H](N)c1cn([C@@H](Cc2ccccc2)c2cn([C@@H](Cc3ccccc3)c3cn([C@H](C)c4ccccc4)nn3)nn2)nn1
InChIInChI=1S/C34H38N10/c1-24(2)34(35)31-23-44(41-38-31)33(20-27-15-9-5-10-16-27)30-22-43(40-37-30)32(19-26-13-7-4-8-14-26)29-21-42(39-36-29)25(3)28-17-11-6-12-18-28/h4-18,21-25,32-34H,19-20,35H2,1-3H3/t25-,32+,33+,34+/m1/s1
InChIKeyGZEUUNLHCQFCOC-GTAPEUFRSA-N
XLogP5.39
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.75
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine (CID 45483274) is (1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine is CC(C)[C@H](N)c1cn([C@@H](Cc2ccccc2)c2cn([C@@H](Cc3ccccc3)c3cn([C@H](C)c4ccccc4)nn3)nn2)nn1.
What is the InChIKey of (1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine?
The InChIKey is GZEUUNLHCQFCOC-GTAPEUFRSA-N. The full InChI is InChI=1S/C34H38N10/c1-24(2)34(35)31-23-44(41-38-31)33(20-27-15-9-5-10-16-27)30-22-43(40-37-30)32(19-26-13-7-4-8-14-26)29-21-42(39-36-29)25(3)28-17-11-6-12-18-28/h4-18,21-25,32-34H,19-20,35H2,1-3H3/t25-,32+,33+,34+/m1/s1.
What are the key properties of (1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine?
(1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine has a molecular weight of 586.75 g/mol, XLogP of 5.39, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]ethyl]triazol-4-yl]ethyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 45483274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).