cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium

C15H25N2+ — CID 4741246

IUPACcycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium
SMILESC[NH+](CCc1ccccn1)C1CCCCCC1
InChIInChI=1S/C15H24N2/c1-17(15-9-4-2-3-5-10-15)13-11-14-8-6-7-12-16-14/h6-8,12,15H,2-5,9-11,13H2,1H3/p+1
InChIKeyASIJWWAKSXZEHH-UHFFFAOYSA-O
MW233.38 g/mol
LogP1.86
Rot. Bonds4

About cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium

cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium (PubChem CID 4741246) has the molecular formula C15H25N2+ and a molecular weight of 233.38 g/mol. Its IUPAC name is cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium.

Molecular Properties

Compound Namecycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium
PubChem CID4741246
Molecular FormulaC15H25N2+
Molecular Weight233.38 g/mol
Exact Mass233.20
IUPAC Namecycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium
SMILESC[NH+](CCc1ccccn1)C1CCCCCC1
InChIInChI=1S/C15H24N2/c1-17(15-9-4-2-3-5-10-15)13-11-14-8-6-7-12-16-14/h6-8,12,15H,2-5,9-11,13H2,1H3/p+1
InChIKeyASIJWWAKSXZEHH-UHFFFAOYSA-O
XLogP1.86
TPSA17.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dicyclohexyl(2-pyridin-2-ylethyl)phosphane
CID 15721276
2-(cyclohexylmethyl)pyridine
CID 14762660
cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium
CID 4743846
methyl-(2-phenylethyl)-(pyridin-2-ylmethyl)azanium
CID 6938055
(1R)-1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206944
1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206943
2-cyclohexyl-1-pyridin-2-ylpropan-2-ol
CID 114794983
(4-fluorophenyl)methyl-methyl-(2-pyridin-2-ylethyl)azanium
CID 5220542
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
1-cyclohexyl-4-pyridin-2-ylbutan-2-one
CID 105089148
2-[methyl(2-pyridin-2-ylethyl)azaniumyl]acetate
CID 29052902
1-cyclohexyl-N-methyl-2-pyridin-2-ylethanamine
CID 60819908

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium?
The IUPAC name of cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium (CID 4741246) is cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium.
What is the SMILES notation for cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium?
The canonical SMILES for cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium is C[NH+](CCc1ccccn1)C1CCCCCC1.
What is the InChIKey of cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium?
The InChIKey is ASIJWWAKSXZEHH-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N2/c1-17(15-9-4-2-3-5-10-15)13-11-14-8-6-7-12-16-14/h6-8,12,15H,2-5,9-11,13H2,1H3/p+1.
What are the key properties of cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium?
cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium has a molecular weight of 233.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium is sourced from PubChem (CID 4741246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).