3-(dodecylamino)-3-phenylpentane-1,5-diol

C23H41NO2 — CID 23321613

IUPAC3-(dodecylamino)-3-phenylpentane-1,5-diol
SMILESCCCCCCCCCCCCNC(CCO)(CCO)c1ccccc1
InChIInChI=1S/C23H41NO2/c1-2-3-4-5-6-7-8-9-10-14-19-24-23(17-20-25,18-21-26)22-15-12-11-13-16-22/h11-13,15-16,24-26H,2-10,14,17-21H2,1H3
InChIKeyQRHBJDALCYHQKN-UHFFFAOYSA-N
MW363.59 g/mol
LogP5.16
Rot. Bonds17

About 3-(dodecylamino)-3-phenylpentane-1,5-diol

3-(dodecylamino)-3-phenylpentane-1,5-diol (PubChem CID 23321613) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is 3-(dodecylamino)-3-phenylpentane-1,5-diol.

Molecular Properties

Compound Name3-(dodecylamino)-3-phenylpentane-1,5-diol
PubChem CID23321613
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Name3-(dodecylamino)-3-phenylpentane-1,5-diol
SMILESCCCCCCCCCCCCNC(CCO)(CCO)c1ccccc1
InChIInChI=1S/C23H41NO2/c1-2-3-4-5-6-7-8-9-10-14-19-24-23(17-20-25,18-21-26)22-15-12-11-13-16-22/h11-13,15-16,24-26H,2-10,14,17-21H2,1H3
InChIKeyQRHBJDALCYHQKN-UHFFFAOYSA-N
XLogP5.16
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.16
H-Bond Donors ≤ 53
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-(dodecylamino)-3-phenylpentane-1,5-diol?
The IUPAC name of 3-(dodecylamino)-3-phenylpentane-1,5-diol (CID 23321613) is 3-(dodecylamino)-3-phenylpentane-1,5-diol.
What is the SMILES notation for 3-(dodecylamino)-3-phenylpentane-1,5-diol?
The canonical SMILES for 3-(dodecylamino)-3-phenylpentane-1,5-diol is CCCCCCCCCCCCNC(CCO)(CCO)c1ccccc1.
What is the InChIKey of 3-(dodecylamino)-3-phenylpentane-1,5-diol?
The InChIKey is QRHBJDALCYHQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2/c1-2-3-4-5-6-7-8-9-10-14-19-24-23(17-20-25,18-21-26)22-15-12-11-13-16-22/h11-13,15-16,24-26H,2-10,14,17-21H2,1H3.
What are the key properties of 3-(dodecylamino)-3-phenylpentane-1,5-diol?
3-(dodecylamino)-3-phenylpentane-1,5-diol has a molecular weight of 363.59 g/mol, XLogP of 5.16, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dodecylamino)-3-phenylpentane-1,5-diol is sourced from PubChem (CID 23321613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).