1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine

C18H40N2O — CID 22114476

IUPAC1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)C(CC)OC(CC)N(CCC)CCC
InChIInChI=1S/C18H40N2O/c1-7-13-19(14-8-2)17(11-5)21-18(12-6)20(15-9-3)16-10-4/h17-18H,7-16H2,1-6H3
InChIKeyHIKHEZVXSIZUTA-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.72
Rot. Bonds14

About 1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine

1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine (PubChem CID 22114476) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine
PubChem CID22114476
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)C(CC)OC(CC)N(CCC)CCC
InChIInChI=1S/C18H40N2O/c1-7-13-19(14-8-2)17(11-5)21-18(12-6)20(15-9-3)16-10-4/h17-18H,7-16H2,1-6H3
InChIKeyHIKHEZVXSIZUTA-UHFFFAOYSA-N
XLogP4.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine?
The IUPAC name of 1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine (CID 22114476) is 1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine?
The canonical SMILES for 1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine is CCCN(CCC)C(CC)OC(CC)N(CCC)CCC.
What is the InChIKey of 1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine?
The InChIKey is HIKHEZVXSIZUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-7-13-19(14-8-2)17(11-5)21-18(12-6)20(15-9-3)16-10-4/h17-18H,7-16H2,1-6H3.
What are the key properties of 1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine?
1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine has a molecular weight of 300.53 g/mol, XLogP of 4.72, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 22114476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).