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

C16H35NO2 — CID 14996339

IUPAC1-(decylamino)-3-propan-2-yloxypropan-2-ol
SMILESCCCCCCCCCCNCC(O)COC(C)C
InChIInChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-11-12-17-13-16(18)14-19-15(2)3/h15-18H,4-14H2,1-3H3
InChIKeyVCYSADPNAGHNAB-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.50
Rot. Bonds14

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

1-(decylamino)-3-propan-2-yloxypropan-2-ol (PubChem CID 14996339) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(decylamino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(decylamino)-3-propan-2-yloxypropan-2-ol
PubChem CID14996339
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name1-(decylamino)-3-propan-2-yloxypropan-2-ol
SMILESCCCCCCCCCCNCC(O)COC(C)C
InChIInChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-11-12-17-13-16(18)14-19-15(2)3/h15-18H,4-14H2,1-3H3
InChIKeyVCYSADPNAGHNAB-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
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 1-(decylamino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(decylamino)-3-propan-2-yloxypropan-2-ol (CID 14996339) is 1-(decylamino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(decylamino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(decylamino)-3-propan-2-yloxypropan-2-ol is CCCCCCCCCCNCC(O)COC(C)C.
What is the InChIKey of 1-(decylamino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is VCYSADPNAGHNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-4-5-6-7-8-9-10-11-12-17-13-16(18)14-19-15(2)3/h15-18H,4-14H2,1-3H3.
What are the key properties of 1-(decylamino)-3-propan-2-yloxypropan-2-ol?
1-(decylamino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 273.46 g/mol, XLogP of 3.50, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(decylamino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 14996339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).