4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine

C17H38N2O — CID 115505891

IUPAC4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)OCCN(C(C)C)C(C)C
InChIInChI=1S/C17H38N2O/c1-14(2)13-18-10-8-9-17(7)20-12-11-19(15(3)4)16(5)6/h14-18H,8-13H2,1-7H3
InChIKeyUFSRXQJMGMRGCG-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.54
Rot. Bonds12

About 4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine

4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine (PubChem CID 115505891) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine
PubChem CID115505891
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Name4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)OCCN(C(C)C)C(C)C
InChIInChI=1S/C17H38N2O/c1-14(2)13-18-10-8-9-17(7)20-12-11-19(15(3)4)16(5)6/h14-18H,8-13H2,1-7H3
InChIKeyUFSRXQJMGMRGCG-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
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 4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine (CID 115505891) is 4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCC(C)OCCN(C(C)C)C(C)C.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is UFSRXQJMGMRGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O/c1-14(2)13-18-10-8-9-17(7)20-12-11-19(15(3)4)16(5)6/h14-18H,8-13H2,1-7H3.
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine?
4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 286.50 g/mol, XLogP of 3.54, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 115505891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).