N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine

C29H38N2O — CID 10693949

IUPACN-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine
SMILESCC(C)(CNCCCc1ccccc1)CNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H38N2O/c1-29(2,23-30-20-12-15-25-13-6-3-7-14-25)24-31-21-22-32-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-19,28,30-31H,12,15,20-24H2,1-2H3
InChIKeyIOIBNVSZPMMFKU-UHFFFAOYSA-N
MW430.64 g/mol
LogP5.63
Rot. Bonds14

About N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine

N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine (PubChem CID 10693949) has the molecular formula C29H38N2O and a molecular weight of 430.64 g/mol. Its IUPAC name is N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine
PubChem CID10693949
Molecular FormulaC29H38N2O
Molecular Weight430.64 g/mol
Exact Mass430.30
IUPAC NameN-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine
SMILESCC(C)(CNCCCc1ccccc1)CNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H38N2O/c1-29(2,23-30-20-12-15-25-13-6-3-7-14-25)24-31-21-22-32-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-19,28,30-31H,12,15,20-24H2,1-2H3
InChIKeyIOIBNVSZPMMFKU-UHFFFAOYSA-N
XLogP5.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 55.63
H-Bond Donors ≤ 52
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 N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine?
The IUPAC name of N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine (CID 10693949) is N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine?
The canonical SMILES for N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine is CC(C)(CNCCCc1ccccc1)CNCCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine?
The InChIKey is IOIBNVSZPMMFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O/c1-29(2,23-30-20-12-15-25-13-6-3-7-14-25)24-31-21-22-32-28(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-19,28,30-31H,12,15,20-24H2,1-2H3.
What are the key properties of N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine?
N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine has a molecular weight of 430.64 g/mol, XLogP of 5.63, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryloxyethyl)-2,2-dimethyl-N'-(3-phenylpropyl)propane-1,3-diamine is sourced from PubChem (CID 10693949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).