3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine

C18H40N2O — CID 57137042

IUPAC3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOCCCN(CCC)CCC
InChIInChI=1S/C18H40N2O/c1-5-11-19(12-6-2)15-9-17-21-18-10-16-20(13-7-3)14-8-4/h5-18H2,1-4H3
InChIKeyWQUPBWZLMAHYIW-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.03
Rot. Bonds16

About 3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine

3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine (PubChem CID 57137042) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine
PubChem CID57137042
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine
SMILESCCCN(CCC)CCCOCCCN(CCC)CCC
InChIInChI=1S/C18H40N2O/c1-5-11-19(12-6-2)15-9-17-21-18-10-16-20(13-7-3)14-8-4/h5-18H2,1-4H3
InChIKeyWQUPBWZLMAHYIW-UHFFFAOYSA-N
XLogP4.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.03
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 3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine (CID 57137042) is 3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine is CCCN(CCC)CCCOCCCN(CCC)CCC.
What is the InChIKey of 3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine?
The InChIKey is WQUPBWZLMAHYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-5-11-19(12-6-2)15-9-17-21-18-10-16-20(13-7-3)14-8-4/h5-18H2,1-4H3.
What are the key properties of 3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine?
3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine has a molecular weight of 300.53 g/mol, XLogP of 4.03, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dipropylamino)propoxy]-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 57137042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).