N'-(2-benzhydryloxyethyl)butane-1,4-diamine

C19H26N2O — CID 10780443

IUPACN'-(2-benzhydryloxyethyl)butane-1,4-diamine
SMILESNCCCCNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2O/c20-13-7-8-14-21-15-16-22-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19,21H,7-8,13-16,20H2
InChIKeyQIUQNJJBWMDVGP-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.12
Rot. Bonds10

About N'-(2-benzhydryloxyethyl)butane-1,4-diamine

N'-(2-benzhydryloxyethyl)butane-1,4-diamine (PubChem CID 10780443) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-(2-benzhydryloxyethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-benzhydryloxyethyl)butane-1,4-diamine
PubChem CID10780443
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN'-(2-benzhydryloxyethyl)butane-1,4-diamine
SMILESNCCCCNCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2O/c20-13-7-8-14-21-15-16-22-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19,21H,7-8,13-16,20H2
InChIKeyQIUQNJJBWMDVGP-UHFFFAOYSA-N
XLogP3.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.12
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)butane-1,4-diamine?
The IUPAC name of N'-(2-benzhydryloxyethyl)butane-1,4-diamine (CID 10780443) is N'-(2-benzhydryloxyethyl)butane-1,4-diamine.
What is the SMILES notation for N'-(2-benzhydryloxyethyl)butane-1,4-diamine?
The canonical SMILES for N'-(2-benzhydryloxyethyl)butane-1,4-diamine is NCCCCNCCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(2-benzhydryloxyethyl)butane-1,4-diamine?
The InChIKey is QIUQNJJBWMDVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c20-13-7-8-14-21-15-16-22-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19,21H,7-8,13-16,20H2.
What are the key properties of N'-(2-benzhydryloxyethyl)butane-1,4-diamine?
N'-(2-benzhydryloxyethyl)butane-1,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzhydryloxyethyl)butane-1,4-diamine is sourced from PubChem (CID 10780443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).