3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol

C16H35NO — CID 175071947

IUPAC3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
SMILESCC(C)CCCCCCCN(CCCO)C(C)C
InChIInChI=1S/C16H35NO/c1-15(2)11-8-6-5-7-9-12-17(16(3)4)13-10-14-18/h15-16,18H,5-14H2,1-4H3
InChIKeyKJUPMUXUUSRYGD-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.08
Rot. Bonds12

About 3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol

3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol (PubChem CID 175071947) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
PubChem CID175071947
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
SMILESCC(C)CCCCCCCN(CCCO)C(C)C
InChIInChI=1S/C16H35NO/c1-15(2)11-8-6-5-7-9-12-17(16(3)4)13-10-14-18/h15-16,18H,5-14H2,1-4H3
InChIKeyKJUPMUXUUSRYGD-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
3-[2-(3-methylbutoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62015016
3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol
CID 107010084
16-methylheptadecan-1-ol;titanium
CID 151630620
CID 172760633
CID 172760633
alumane;6-methylheptan-1-ol
CID 174615736
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 11510944
3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol
CID 166090876
sodium;hydride;8-methylnonan-1-ol
CID 175362951
decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol
CID 159290129
CID 6335748
CID 6335748
3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
CID 161175838

Frequently Asked Questions

What is the IUPAC name of 3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol (CID 175071947) is 3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol is CC(C)CCCCCCCN(CCCO)C(C)C.
What is the InChIKey of 3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol?
The InChIKey is KJUPMUXUUSRYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-15(2)11-8-6-5-7-9-12-17(16(3)4)13-10-14-18/h15-16,18H,5-14H2,1-4H3.
What are the key properties of 3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol?
3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol has a molecular weight of 257.46 g/mol, XLogP of 4.08, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 175071947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).