(3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine

C23H35N3 — CID 130367923

IUPAC(3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine
SMILESNCC[C@H](N)CCNCC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C23H35N3/c24-17-15-23(25)16-18-26-19-22(13-11-20-7-3-1-4-8-20)14-12-21-9-5-2-6-10-21/h1-10,22-23,26H,11-19,24-25H2/t23-/m0/s1
InChIKeyPNGQZFVKUXXCOD-QHCPKHFHSA-N
MW353.55 g/mol
LogP3.52
Rot. Bonds13

About (3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine

(3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine (PubChem CID 130367923) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is (3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine.

Molecular Properties

Compound Name(3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine
PubChem CID130367923
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC Name(3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine
SMILESNCC[C@H](N)CCNCC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C23H35N3/c24-17-15-23(25)16-18-26-19-22(13-11-20-7-3-1-4-8-20)14-12-21-9-5-2-6-10-21/h1-10,22-23,26H,11-19,24-25H2/t23-/m0/s1
InChIKeyPNGQZFVKUXXCOD-QHCPKHFHSA-N
XLogP3.52
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine?
The IUPAC name of (3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine (CID 130367923) is (3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine.
What is the SMILES notation for (3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine?
The canonical SMILES for (3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine is NCC[C@H](N)CCNCC(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of (3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine?
The InChIKey is PNGQZFVKUXXCOD-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H35N3/c24-17-15-23(25)16-18-26-19-22(13-11-20-7-3-1-4-8-20)14-12-21-9-5-2-6-10-21/h1-10,22-23,26H,11-19,24-25H2/t23-/m0/s1.
What are the key properties of (3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine?
(3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine has a molecular weight of 353.55 g/mol, XLogP of 3.52, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-N-[4-phenyl-2-(2-phenylethyl)butyl]pentane-1,3,5-triamine is sourced from PubChem (CID 130367923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).