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

C20H44N2O — CID 19822684

IUPAC1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine
SMILESCCCC(OC(CCC)N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C20H44N2O/c1-7-13-19(21(15-9-3)16-10-4)23-20(14-8-2)22(17-11-5)18-12-6/h19-20H,7-18H2,1-6H3
InChIKeyZTZNSRDDCWFFMB-UHFFFAOYSA-N
MW328.59 g/mol
LogP5.50
Rot. Bonds16

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

1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine (PubChem CID 19822684) has the molecular formula C20H44N2O and a molecular weight of 328.59 g/mol. Its IUPAC name is 1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine
PubChem CID19822684
Molecular FormulaC20H44N2O
Molecular Weight328.59 g/mol
Exact Mass328.35
IUPAC Name1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine
SMILESCCCC(OC(CCC)N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C20H44N2O/c1-7-13-19(21(15-9-3)16-10-4)23-20(14-8-2)22(17-11-5)18-12-6/h19-20H,7-18H2,1-6H3
InChIKeyZTZNSRDDCWFFMB-UHFFFAOYSA-N
XLogP5.50
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.59
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine?
The IUPAC name of 1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine (CID 19822684) is 1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine.
What is the SMILES notation for 1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine?
The canonical SMILES for 1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine is CCCC(OC(CCC)N(CCC)CCC)N(CCC)CCC.
What is the InChIKey of 1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine?
The InChIKey is ZTZNSRDDCWFFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O/c1-7-13-19(21(15-9-3)16-10-4)23-20(14-8-2)22(17-11-5)18-12-6/h19-20H,7-18H2,1-6H3.
What are the key properties of 1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine?
1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine has a molecular weight of 328.59 g/mol, XLogP of 5.50, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dipropylamino)butoxy]-N,N-dipropylbutan-1-amine is sourced from PubChem (CID 19822684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).