1-(dodecylamino)-3-propan-2-yloxypropan-2-ol

C18H39NO2 — CID 14996344

IUPAC1-(dodecylamino)-3-propan-2-yloxypropan-2-ol
SMILESCCCCCCCCCCCCNCC(O)COC(C)C
InChIInChI=1S/C18H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-18(20)16-21-17(2)3/h17-20H,4-16H2,1-3H3
InChIKeyQKUKYFFECSGQGV-UHFFFAOYSA-N
MW301.51 g/mol
LogP4.28
Rot. Bonds16

About 1-(dodecylamino)-3-propan-2-yloxypropan-2-ol

1-(dodecylamino)-3-propan-2-yloxypropan-2-ol (PubChem CID 14996344) has the molecular formula C18H39NO2 and a molecular weight of 301.51 g/mol. Its IUPAC name is 1-(dodecylamino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(dodecylamino)-3-propan-2-yloxypropan-2-ol
PubChem CID14996344
Molecular FormulaC18H39NO2
Molecular Weight301.51 g/mol
Exact Mass301.30
IUPAC Name1-(dodecylamino)-3-propan-2-yloxypropan-2-ol
SMILESCCCCCCCCCCCCNCC(O)COC(C)C
InChIInChI=1S/C18H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-18(20)16-21-17(2)3/h17-20H,4-16H2,1-3H3
InChIKeyQKUKYFFECSGQGV-UHFFFAOYSA-N
XLogP4.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.51
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(dodecylamino)-3-propan-2-yloxypropan-2-ol 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-(dodecylamino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(dodecylamino)-3-propan-2-yloxypropan-2-ol (CID 14996344) is 1-(dodecylamino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(dodecylamino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(dodecylamino)-3-propan-2-yloxypropan-2-ol is CCCCCCCCCCCCNCC(O)COC(C)C.
What is the InChIKey of 1-(dodecylamino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is QKUKYFFECSGQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-18(20)16-21-17(2)3/h17-20H,4-16H2,1-3H3.
What are the key properties of 1-(dodecylamino)-3-propan-2-yloxypropan-2-ol?
1-(dodecylamino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 301.51 g/mol, XLogP of 4.28, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dodecylamino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 14996344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).