(3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride

C15H23ClN2O — CID 110185150

IUPAC(3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride
SMILESO=C(CC[NH2+]Cc1cccnc1)C1CCCCC1.[Cl-]
InChIInChI=1S/C15H22N2O.ClH/c18-15(14-6-2-1-3-7-14)8-10-17-12-13-5-4-9-16-11-13;/h4-5,9,11,14,17H,1-3,6-8,10,12H2;1H
InChIKeyWUHWFOIVZNGFOJ-UHFFFAOYSA-N
MW282.81 g/mol
LogP-1.31
Rot. Bonds6

About (3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride

(3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride (PubChem CID 110185150) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride.

Molecular Properties

Compound Name(3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride
PubChem CID110185150
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride
SMILESO=C(CC[NH2+]Cc1cccnc1)C1CCCCC1.[Cl-]
InChIInChI=1S/C15H22N2O.ClH/c18-15(14-6-2-1-3-7-14)8-10-17-12-13-5-4-9-16-11-13;/h4-5,9,11,14,17H,1-3,6-8,10,12H2;1H
InChIKeyWUHWFOIVZNGFOJ-UHFFFAOYSA-N
XLogP-1.31
TPSA46.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 5-1.31
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

(3-cyclohexyl-3-oxopropyl)-[(4-methoxyphenyl)methyl]azanium chloride
CID 110184835
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
bis(pyridin-3-ylmethyl)azanium
CID 6946562
1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one
CID 103457420
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
CID 105099703
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360995
N-(2-cyclohexyl-2-oxoethyl)-4-[(2-pyridin-3-ylacetyl)amino]benzamide
CID 166281655
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360406
N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612463
pyridin-3-yl cyclohexanecarboxylate
CID 151250371

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride?
The IUPAC name of (3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride (CID 110185150) is (3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride.
What is the SMILES notation for (3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride?
The canonical SMILES for (3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride is O=C(CC[NH2+]Cc1cccnc1)C1CCCCC1.[Cl-].
What is the InChIKey of (3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride?
The InChIKey is WUHWFOIVZNGFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c18-15(14-6-2-1-3-7-14)8-10-17-12-13-5-4-9-16-11-13;/h4-5,9,11,14,17H,1-3,6-8,10,12H2;1H.
What are the key properties of (3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride?
(3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride has a molecular weight of 282.81 g/mol, XLogP of -1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-3-oxopropyl)-(pyridin-3-ylmethyl)azanium chloride is sourced from PubChem (CID 110185150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).