5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine

C20H44N2O — CID 57134781

IUPAC5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine
SMILESCCN(CC)CCC(C)CCOCCC(C)CCN(CC)CC
InChIInChI=1S/C20H44N2O/c1-7-21(8-2)15-11-19(5)13-17-23-18-14-20(6)12-16-22(9-3)10-4/h19-20H,7-18H2,1-6H3
InChIKeyHZEHSGFYTMTCDX-UHFFFAOYSA-N
MW328.59 g/mol
LogP4.52
Rot. Bonds16

About 5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine

5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine (PubChem CID 57134781) has the molecular formula C20H44N2O and a molecular weight of 328.59 g/mol. Its IUPAC name is 5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine
PubChem CID57134781
Molecular FormulaC20H44N2O
Molecular Weight328.59 g/mol
Exact Mass328.35
IUPAC Name5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine
SMILESCCN(CC)CCC(C)CCOCCC(C)CCN(CC)CC
InChIInChI=1S/C20H44N2O/c1-7-21(8-2)15-11-19(5)13-17-23-18-14-20(6)12-16-22(9-3)10-4/h19-20H,7-18H2,1-6H3
InChIKeyHZEHSGFYTMTCDX-UHFFFAOYSA-N
XLogP4.52
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.52
H-Bond Donors ≤ 50
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 5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine?
The IUPAC name of 5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine (CID 57134781) is 5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine.
What is the SMILES notation for 5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine?
The canonical SMILES for 5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine is CCN(CC)CCC(C)CCOCCC(C)CCN(CC)CC.
What is the InChIKey of 5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine?
The InChIKey is HZEHSGFYTMTCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O/c1-7-21(8-2)15-11-19(5)13-17-23-18-14-20(6)12-16-22(9-3)10-4/h19-20H,7-18H2,1-6H3.
What are the key properties of 5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine?
5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine has a molecular weight of 328.59 g/mol, XLogP of 4.52, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(diethylamino)-3-methylpentoxy]-N,N-diethyl-3-methylpentan-1-amine is sourced from PubChem (CID 57134781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).