1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol

C26H56N2O2 — CID 21332463

IUPAC1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol
SMILESCCCCCCCC(O)CN(C)CCCCCCN(C)CC(O)CCCCCCC
InChIInChI=1S/C26H56N2O2/c1-5-7-9-11-15-19-25(29)23-27(3)21-17-13-14-18-22-28(4)24-26(30)20-16-12-10-8-6-2/h25-26,29-30H,5-24H2,1-4H3
InChIKeyKMPBYLYFCKNCBH-UHFFFAOYSA-N
MW428.75 g/mol
LogP5.85
Rot. Bonds23

About 1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol

1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol (PubChem CID 21332463) has the molecular formula C26H56N2O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is 1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol.

Molecular Properties

Compound Name1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol
PubChem CID21332463
Molecular FormulaC26H56N2O2
Molecular Weight428.75 g/mol
Exact Mass428.43
IUPAC Name1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol
SMILESCCCCCCCC(O)CN(C)CCCCCCN(C)CC(O)CCCCCCC
InChIInChI=1S/C26H56N2O2/c1-5-7-9-11-15-19-25(29)23-27(3)21-17-13-14-18-22-28(4)24-26(30)20-16-12-10-8-6-2/h25-26,29-30H,5-24H2,1-4H3
InChIKeyKMPBYLYFCKNCBH-UHFFFAOYSA-N
XLogP5.85
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxyhexadecyl(methyl)amino]hexadecan-2-ol
CID 139658623
1-[2-hydroxyhexadecyl(methyl)amino]-4-methylicosan-6-ol
CID 156677909
6-[[6-(2-hexyldecanoyloxy)-2-hydroxyhexyl]-methylamino]hexyl 2-hexyldecanoate
CID 168821403
ethane;1-[[(2R)-2-hydroxydodecyl]-pentylamino]dodecan-2-ol
CID 144985798
2-[2-hydroxyhexadecyl(methyl)amino]ethanesulfonic acid
CID 57278408
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
1-chloro-3-[methyl(pentyl)amino]propan-2-ol
CID 112561245
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
1-(dibutylamino)undecan-2-ol
CID 101275149
(2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]dodecan-2-ol
CID 129387119
1-[2-hydroxybutyl-[3-[(2-hydroxy-3-methylheptadecyl)-methylamino]propyl]amino]octadecan-2-ol
CID 58527621

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol?
The IUPAC name of 1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol (CID 21332463) is 1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol.
What is the SMILES notation for 1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol?
The canonical SMILES for 1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol is CCCCCCCC(O)CN(C)CCCCCCN(C)CC(O)CCCCCCC.
What is the InChIKey of 1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol?
The InChIKey is KMPBYLYFCKNCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N2O2/c1-5-7-9-11-15-19-25(29)23-27(3)21-17-13-14-18-22-28(4)24-26(30)20-16-12-10-8-6-2/h25-26,29-30H,5-24H2,1-4H3.
What are the key properties of 1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol?
1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol has a molecular weight of 428.75 g/mol, XLogP of 5.85, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol is sourced from PubChem (CID 21332463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).