ethane;1-nonylpiperidine

C16H35N — CID 177011009

IUPACethane;1-nonylpiperidine
SMILESCC.CCCCCCCCCN1CCCCC1
InChIInChI=1S/C14H29N.C2H6/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;1-2/h2-14H2,1H3;1-2H3
InChIKeyNRGUIBKOSOEHIY-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.25
Rot. Bonds8

About ethane;1-nonylpiperidine

ethane;1-nonylpiperidine (PubChem CID 177011009) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is ethane;1-nonylpiperidine.

Molecular Properties

Compound Nameethane;1-nonylpiperidine
PubChem CID177011009
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Nameethane;1-nonylpiperidine
SMILESCC.CCCCCCCCCN1CCCCC1
InChIInChI=1S/C14H29N.C2H6/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;1-2/h2-14H2,1H3;1-2H3
InChIKeyNRGUIBKOSOEHIY-UHFFFAOYSA-N
XLogP5.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Didecyldimethylammonium Chloride
CID 23558
Dimethyloctadecylamine
CID 15365
Cetyltrimethylammonium
CID 2681
Dioctyldimethylammonium chloride
CID 62581
Cetyldimethylethylammonium bromide
CID 31280
Dimethylhexadecylamine
CID 16221
Tri-n-dodecylamine
CID 7624
N,N-Dimethyltetradecylamine
CID 8211
Trioctylmethylammonium chloride
CID 21218
Didecyldimethylammonium
CID 16958
Distearyldimethylammonium chloride
CID 7879
N-Methyl-N-octyl-1-octanamine
CID 78202

Frequently Asked Questions

What is the IUPAC name of ethane;1-nonylpiperidine?
The IUPAC name of ethane;1-nonylpiperidine (CID 177011009) is ethane;1-nonylpiperidine.
What is the SMILES notation for ethane;1-nonylpiperidine?
The canonical SMILES for ethane;1-nonylpiperidine is CC.CCCCCCCCCN1CCCCC1.
What is the InChIKey of ethane;1-nonylpiperidine?
The InChIKey is NRGUIBKOSOEHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.C2H6/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;1-2/h2-14H2,1H3;1-2H3.
What are the key properties of ethane;1-nonylpiperidine?
ethane;1-nonylpiperidine has a molecular weight of 241.46 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-nonylpiperidine is sourced from PubChem (CID 177011009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).