4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine

C20H44N2O — CID 57286264

IUPAC4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)CCCCOCCCCN(CCC)CCC
InChIInChI=1S/C20H44N2O/c1-5-13-21(14-6-2)17-9-11-19-23-20-12-10-18-22(15-7-3)16-8-4/h5-20H2,1-4H3
InChIKeyXQWBXVLZLZJNSD-UHFFFAOYSA-N
MW328.59 g/mol
LogP4.81
Rot. Bonds18

About 4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine

4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine (PubChem CID 57286264) has the molecular formula C20H44N2O and a molecular weight of 328.59 g/mol. Its IUPAC name is 4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine
PubChem CID57286264
Molecular FormulaC20H44N2O
Molecular Weight328.59 g/mol
Exact Mass328.35
IUPAC Name4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)CCCCOCCCCN(CCC)CCC
InChIInChI=1S/C20H44N2O/c1-5-13-21(14-6-2)17-9-11-19-23-20-12-10-18-22(15-7-3)16-8-4/h5-20H2,1-4H3
InChIKeyXQWBXVLZLZJNSD-UHFFFAOYSA-N
XLogP4.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.81
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 4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine?
The IUPAC name of 4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine (CID 57286264) is 4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine.
What is the SMILES notation for 4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine?
The canonical SMILES for 4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine is CCCN(CCC)CCCCOCCCCN(CCC)CCC.
What is the InChIKey of 4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine?
The InChIKey is XQWBXVLZLZJNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O/c1-5-13-21(14-6-2)17-9-11-19-23-20-12-10-18-22(15-7-3)16-8-4/h5-20H2,1-4H3.
What are the key properties of 4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine?
4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine has a molecular weight of 328.59 g/mol, XLogP of 4.81, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine is sourced from PubChem (CID 57286264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).