4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol

C24H51NO4 — CID 19994336

IUPAC4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol
SMILESCCCCCCCCCCCCN(OC(CC)CC(C)O)OC(CC)CC(C)O
InChIInChI=1S/C24H51NO4/c1-6-9-10-11-12-13-14-15-16-17-18-25(28-23(7-2)19-21(4)26)29-24(8-3)20-22(5)27/h21-24,26-27H,6-20H2,1-5H3
InChIKeyQYAZAPFZNXMQNK-UHFFFAOYSA-N
MW417.68 g/mol
LogP6.17
Rot. Bonds21

About 4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol

4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol (PubChem CID 19994336) has the molecular formula C24H51NO4 and a molecular weight of 417.68 g/mol. Its IUPAC name is 4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol.

Molecular Properties

Compound Name4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol
PubChem CID19994336
Molecular FormulaC24H51NO4
Molecular Weight417.68 g/mol
Exact Mass417.38
IUPAC Name4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol
SMILESCCCCCCCCCCCCN(OC(CC)CC(C)O)OC(CC)CC(C)O
InChIInChI=1S/C24H51NO4/c1-6-9-10-11-12-13-14-15-16-17-18-25(28-23(7-2)19-21(4)26)29-24(8-3)20-22(5)27/h21-24,26-27H,6-20H2,1-5H3
InChIKeyQYAZAPFZNXMQNK-UHFFFAOYSA-N
XLogP6.17
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxynonan-4-yloxy)nonan-2-ol
CID 70302296
3-[4-hydroxybutan-2-yloxy(octadecyl)amino]oxybutan-1-ol
CID 22987683
1-[di(nonadecyl)amino]propan-1-ol
CID 87359207
1-(dioctadecylamino)propan-1-ol;hydrochloride
CID 173142418
1-[decyl(methyl)amino]propan-1-ol;hydrochloride
CID 175358956
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
1-[methyl(pentyl)amino]propan-1-ol
CID 87216398
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
CID 175112776
octane;propan-2-ol
CID 160746796
3-[4-hydroxybutan-2-yloxy(octadec-9-enyl)amino]oxybutan-1-ol
CID 54262882
3-pentadecan-3-yloxypentadecane
CID 57200588

Frequently Asked Questions

What is the IUPAC name of 4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol?
The IUPAC name of 4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol (CID 19994336) is 4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol.
What is the SMILES notation for 4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol?
The canonical SMILES for 4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol is CCCCCCCCCCCCN(OC(CC)CC(C)O)OC(CC)CC(C)O.
What is the InChIKey of 4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol?
The InChIKey is QYAZAPFZNXMQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO4/c1-6-9-10-11-12-13-14-15-16-17-18-25(28-23(7-2)19-21(4)26)29-24(8-3)20-22(5)27/h21-24,26-27H,6-20H2,1-5H3.
What are the key properties of 4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol?
4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol has a molecular weight of 417.68 g/mol, XLogP of 6.17, 21 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dodecyl(5-hydroxyhexan-3-yloxy)amino]oxyhexan-2-ol is sourced from PubChem (CID 19994336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).