2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine

C22H38N8O — CID 150305183

IUPAC2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine
SMILESN#CN/C(=N\CCCCCCCCN(N)CCCN1CCOCC1)Nc1ccncc1
InChIInChI=1S/C22H38N8O/c23-20-27-22(28-21-8-11-25-12-9-21)26-10-5-3-1-2-4-6-14-30(24)15-7-13-29-16-18-31-19-17-29/h8-9,11-12H,1-7,10,13-19,24H2,(H2,25,26,27,28)
InChIKeyGKLDHWMTSATBMZ-UHFFFAOYSA-N
MW430.60 g/mol
LogP2.16
Rot. Bonds14

About 2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine

2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine (PubChem CID 150305183) has the molecular formula C22H38N8O and a molecular weight of 430.60 g/mol. Its IUPAC name is 2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine.

Molecular Properties

Compound Name2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine
PubChem CID150305183
Molecular FormulaC22H38N8O
Molecular Weight430.60 g/mol
Exact Mass430.32
IUPAC Name2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine
SMILESN#CN/C(=N\CCCCCCCCN(N)CCCN1CCOCC1)Nc1ccncc1
InChIInChI=1S/C22H38N8O/c23-20-27-22(28-21-8-11-25-12-9-21)26-10-5-3-1-2-4-6-14-30(24)15-7-13-29-16-18-31-19-17-29/h8-9,11-12H,1-7,10,13-19,24H2,(H2,25,26,27,28)
InChIKeyGKLDHWMTSATBMZ-UHFFFAOYSA-N
XLogP2.16
TPSA114.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine 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

N-[8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]octyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 89051917
1-cyano-2-[6-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine
CID 72735246
1-cyano-2-[6-[2-morpholin-4-ylethoxy(pyridin-3-ylmethyl)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine
CID 143831557
1-cyano-2-[6-(dibenzylamino)hexyl]-3-pyridin-4-ylguanidine
CID 54140988
1-cyano-2-[5-[4-[3-(oxolan-2-yl)furan-2-yl]piperazin-1-yl]pentyl]-3-pyridin-4-ylguanidine
CID 168813750
10-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]decanoic acid
CID 143831521
2-[12-(benzylamino)dodecyl]-1-cyano-3-pyridin-4-ylguanidine
CID 57067764
1-(4-bromophenyl)-3-cyano-2-(3-imidazol-1-ylpropyl)guanidine
CID 24858983
1-cyano-2-[5-(3-fluorophenoxy)pentyl]-3-pyridin-4-ylguanidine
CID 46937634
1-cyano-2-[6-[cyclohexylmethoxy(2,2,2-trifluoroethylsulfonyl)amino]hexyl]-3-pyridin-4-ylguanidine
CID 89051753
1-cyano-2-[6-[cyclohexylmethoxy(2-hydroxyethyl)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine
CID 143831599
1-cyano-2-[[4-[3-(morpholine-4-carbonyl)phenyl]sulfinylphenyl]methyl]-3-pyridin-4-ylguanidine
CID 90013036

Frequently Asked Questions

What is the IUPAC name of 2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine?
The IUPAC name of 2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine (CID 150305183) is 2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine.
What is the SMILES notation for 2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine?
The canonical SMILES for 2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine is N#CN/C(=N\CCCCCCCCN(N)CCCN1CCOCC1)Nc1ccncc1.
What is the InChIKey of 2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine?
The InChIKey is GKLDHWMTSATBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N8O/c23-20-27-22(28-21-8-11-25-12-9-21)26-10-5-3-1-2-4-6-14-30(24)15-7-13-29-16-18-31-19-17-29/h8-9,11-12H,1-7,10,13-19,24H2,(H2,25,26,27,28).
What are the key properties of 2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine?
2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine has a molecular weight of 430.60 g/mol, XLogP of 2.16, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[amino(3-morpholin-4-ylpropyl)amino]octyl]-1-cyano-3-pyridin-4-ylguanidine is sourced from PubChem (CID 150305183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).