1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol

C41H86N2O2 — CID 145029348

IUPAC1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol
SMILESCCCCCCCCCCCCCCN(CC(O)CCCCCCCCCCC)NCC(O)CCCCCCCCCCCC
InChIInChI=1S/C41H86N2O2/c1-4-7-10-13-16-19-21-22-25-28-31-34-37-43(39-41(45)36-33-30-27-23-18-15-12-9-6-3)42-38-40(44)35-32-29-26-24-20-17-14-11-8-5-2/h40-42,44-45H,4-39H2,1-3H3
InChIKeyFKIMUUSNGAFKEF-UHFFFAOYSA-N
MW639.15 g/mol
LogP12.45
Rot. Bonds39

About 1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol

1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol (PubChem CID 145029348) has the molecular formula C41H86N2O2 and a molecular weight of 639.15 g/mol. Its IUPAC name is 1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol
PubChem CID145029348
Molecular FormulaC41H86N2O2
Molecular Weight639.15 g/mol
Exact Mass638.67
IUPAC Name1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol
SMILESCCCCCCCCCCCCCCN(CC(O)CCCCCCCCCCC)NCC(O)CCCCCCCCCCCC
InChIInChI=1S/C41H86N2O2/c1-4-7-10-13-16-19-21-22-25-28-31-34-37-43(39-41(45)36-33-30-27-23-18-15-12-9-6-3)42-38-40(44)35-32-29-26-24-20-17-14-11-8-5-2/h40-42,44-45H,4-39H2,1-3H3
InChIKeyFKIMUUSNGAFKEF-UHFFFAOYSA-N
XLogP12.45
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds39
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.15
LogP ≤ 512.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

ethane;1-[[(2R)-2-hydroxydodecyl]-pentylamino]dodecan-2-ol
CID 144985798
1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol
CID 21332463
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
1-(dibutylamino)undecan-2-ol
CID 101275149
1-[2-hydroxyhexadecyl(methyl)amino]hexadecan-2-ol
CID 139658623
1-(methylamino)tetradecan-2-ol
CID 18332301
1-[4-hydroxybutyl(2-hydroxydodecyl)amino]dodecan-2-ol
CID 171428816
1-[2-[2-(2-hydroxydecylamino)ethyl-[2-(2-hydroxydodecylamino)ethyl]amino]ethylamino]dodecan-2-ol
CID 162485170
1-(ethylamino)octan-2-ol
CID 62774096
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
tetratetracontan-22-ol
CID 91434437
nonacosane-7,20-diol
CID 174949468

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol?
The IUPAC name of 1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol (CID 145029348) is 1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol is CCCCCCCCCCCCCCN(CC(O)CCCCCCCCCCC)NCC(O)CCCCCCCCCCCC.
What is the InChIKey of 1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol?
The InChIKey is FKIMUUSNGAFKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H86N2O2/c1-4-7-10-13-16-19-21-22-25-28-31-34-37-43(39-41(45)36-33-30-27-23-18-15-12-9-6-3)42-38-40(44)35-32-29-26-24-20-17-14-11-8-5-2/h40-42,44-45H,4-39H2,1-3H3.
What are the key properties of 1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol?
1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol has a molecular weight of 639.15 g/mol, XLogP of 12.45, 39 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxytridecyl)-2-tetradecylhydrazinyl]tetradecan-2-ol is sourced from PubChem (CID 145029348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).