N'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine

C20H28N2O — CID 10757515

IUPACN'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28N2O/c1-20(2,15-21)16-22-13-14-23-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,22H,13-16,21H2,1-2H3
InChIKeyAUSBQGUOSUIIQF-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.37
Rot. Bonds9

About N'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine

N'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 10757515) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID10757515
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28N2O/c1-20(2,15-21)16-22-13-14-23-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,22H,13-16,21H2,1-2H3
InChIKeyAUSBQGUOSUIIQF-UHFFFAOYSA-N
XLogP3.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.37
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-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine (CID 10757515) is N'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine is CC(C)(CN)CNCCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is AUSBQGUOSUIIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-20(2,15-21)16-22-13-14-23-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,22H,13-16,21H2,1-2H3.
What are the key properties of N'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine?
N'-(2-benzhydryloxyethyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 312.46 g/mol, XLogP of 3.37, 9 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-dimethylpropane-1,3-diamine is sourced from PubChem (CID 10757515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).