CID 58696087

C9H18N+ — CID 58696087

IUPAC—
SMILES[CH][N+]1(CCC)CCCCC1
InChIInChI=1S/C9H18N/c1-3-7-10(2)8-5-4-6-9-10/h2H,3-9H2,1H3/q+1
InChIKeyUDWWUMWSMSMVQB-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.07
Rot. Bonds2

About CID 58696087

CID 58696087 (PubChem CID 58696087) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol.

Molecular Properties

Compound NameCID 58696087
PubChem CID58696087
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Name—
SMILES[CH][N+]1(CCC)CCCCC1
InChIInChI=1S/C9H18N/c1-3-7-10(2)8-5-4-6-9-10/h2H,3-9H2,1H3/q+1
InChIKeyUDWWUMWSMSMVQB-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
CID 160666992
1,1-dipropylazepan-1-ium iodide
CID 22406023
1-oxido-1-propylpiperidin-1-ium;hydrate
CID 90041699
1-ethyl-1-propylpyrrolidin-1-ium chloride
CID 66776312
1-decyl-1-propylpiperidin-1-ium
CID 171570313
1-propyl-1-[6-(1-propylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 71247353
1-butyl-1-propylpiperidin-1-ium cyanide
CID 171569817
1-prop-2-enyl-1-propylpiperidin-1-ium
CID 68590517
butane;cyclobutane
CID 162002820
1,1-dioctylpiperidin-1-ium
CID 23148538
1-dodecyl-1-octylpiperidin-1-ium
CID 172831286
1-octadecyl-1-propylpyrrolidin-1-ium
CID 69390349

Frequently Asked Questions

What is the IUPAC name of CID 58696087?
The IUPAC name of CID 58696087 (CID 58696087) is not available.
What is the SMILES notation for CID 58696087?
The canonical SMILES for CID 58696087 is [CH][N+]1(CCC)CCCCC1.
What is the InChIKey of CID 58696087?
The InChIKey is UDWWUMWSMSMVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N/c1-3-7-10(2)8-5-4-6-9-10/h2H,3-9H2,1H3/q+1.
What are the key properties of CID 58696087?
CID 58696087 has a molecular weight of 140.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58696087 is sourced from PubChem (CID 58696087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).