cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine

C20H38N4 — CID 70106759

IUPACcycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine
SMILESCCNCc1ccncc1.NC1CCCC1.NC1CCCCCC1
InChIInChI=1S/C8H12N2.C7H15N.C5H11N/c1-2-9-7-8-3-5-10-6-4-8;8-7-5-3-1-2-4-6-7;6-5-3-1-2-4-5/h3-6,9H,2,7H2,1H3;7H,1-6,8H2;5H,1-4,6H2
InChIKeyYAHFIGFRHLLFPQ-UHFFFAOYSA-N
MW334.55 g/mol
LogP3.75
Rot. Bonds3

About cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine

cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 70106759) has the molecular formula C20H38N4 and a molecular weight of 334.55 g/mol. Its IUPAC name is cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Namecycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine
PubChem CID70106759
Molecular FormulaC20H38N4
Molecular Weight334.55 g/mol
Exact Mass334.31
IUPAC Namecycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine
SMILESCCNCc1ccncc1.NC1CCCC1.NC1CCCCCC1
InChIInChI=1S/C8H12N2.C7H15N.C5H11N/c1-2-9-7-8-3-5-10-6-4-8;8-7-5-3-1-2-4-6-7;6-5-3-1-2-4-5/h3-6,9H,2,7H2,1H3;7H,1-6,8H2;5H,1-4,6H2
InChIKeyYAHFIGFRHLLFPQ-UHFFFAOYSA-N
XLogP3.75
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine 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

molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 167733766
N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine
CID 121358962
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
cyclohexanamine;N-ethylethanamine;N-methylmethanamine;dihydrobromide
CID 160905019
N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60733454
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
1-(3-chlorocyclobutyl)-N-(pyridin-4-ylmethyl)methanamine
CID 66006072
N-(pyridazin-4-ylmethyl)ethanamine
CID 89018615
N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 81248305
N-cyclopentyl-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62280213

Frequently Asked Questions

What is the IUPAC name of cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine (CID 70106759) is cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine is CCNCc1ccncc1.NC1CCCC1.NC1CCCCCC1.
What is the InChIKey of cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is YAHFIGFRHLLFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C7H15N.C5H11N/c1-2-9-7-8-3-5-10-6-4-8;8-7-5-3-1-2-4-6-7;6-5-3-1-2-4-5/h3-6,9H,2,7H2,1H3;7H,1-6,8H2;5H,1-4,6H2.
What are the key properties of cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine?
cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 334.55 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 70106759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).