2,3-didodecoxy-N-propylpropan-1-amine

C30H63NO2 — CID 172833449

IUPAC2,3-didodecoxy-N-propylpropan-1-amine
SMILESCCCCCCCCCCCCOCC(CNCCC)OCCCCCCCCCCCC
InChIInChI=1S/C30H63NO2/c1-4-7-9-11-13-15-17-19-21-23-26-32-29-30(28-31-25-6-3)33-27-24-22-20-18-16-14-12-10-8-5-2/h30-31H,4-29H2,1-3H3
InChIKeyVVCJJYUZJADAMY-UHFFFAOYSA-N
MW469.84 g/mol
LogP9.23
Rot. Bonds29

About 2,3-didodecoxy-N-propylpropan-1-amine

2,3-didodecoxy-N-propylpropan-1-amine (PubChem CID 172833449) has the molecular formula C30H63NO2 and a molecular weight of 469.84 g/mol. Its IUPAC name is 2,3-didodecoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,3-didodecoxy-N-propylpropan-1-amine
PubChem CID172833449
Molecular FormulaC30H63NO2
Molecular Weight469.84 g/mol
Exact Mass469.49
IUPAC Name2,3-didodecoxy-N-propylpropan-1-amine
SMILESCCCCCCCCCCCCOCC(CNCCC)OCCCCCCCCCCCC
InChIInChI=1S/C30H63NO2/c1-4-7-9-11-13-15-17-19-21-23-26-32-29-30(28-31-25-6-3)33-27-24-22-20-18-16-14-12-10-8-5-2/h30-31H,4-29H2,1-3H3
InChIKeyVVCJJYUZJADAMY-UHFFFAOYSA-N
XLogP9.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.84
LogP ≤ 59.23
H-Bond Donors ≤ 51
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 2,3-didodecoxy-N-propylpropan-1-amine?
The IUPAC name of 2,3-didodecoxy-N-propylpropan-1-amine (CID 172833449) is 2,3-didodecoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2,3-didodecoxy-N-propylpropan-1-amine?
The canonical SMILES for 2,3-didodecoxy-N-propylpropan-1-amine is CCCCCCCCCCCCOCC(CNCCC)OCCCCCCCCCCCC.
What is the InChIKey of 2,3-didodecoxy-N-propylpropan-1-amine?
The InChIKey is VVCJJYUZJADAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63NO2/c1-4-7-9-11-13-15-17-19-21-23-26-32-29-30(28-31-25-6-3)33-27-24-22-20-18-16-14-12-10-8-5-2/h30-31H,4-29H2,1-3H3.
What are the key properties of 2,3-didodecoxy-N-propylpropan-1-amine?
2,3-didodecoxy-N-propylpropan-1-amine has a molecular weight of 469.84 g/mol, XLogP of 9.23, 29 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-didodecoxy-N-propylpropan-1-amine is sourced from PubChem (CID 172833449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).