1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine

C12H25N5 — CID 3050792

IUPAC1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine
SMILESCCC(C)(C)N/C(=N/CCCN(C)C)NC#N
InChIInChI=1S/C12H25N5/c1-6-12(2,3)16-11(15-10-13)14-8-7-9-17(4)5/h6-9H2,1-5H3,(H2,14,15,16)
InChIKeyRWTYCVWZPAKQAJ-UHFFFAOYSA-N
MW239.37 g/mol
LogP1.14
Rot. Bonds6

About 1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine

1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine (PubChem CID 3050792) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is 1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine
PubChem CID3050792
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Name1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine
SMILESCCC(C)(C)N/C(=N/CCCN(C)C)NC#N
InChIInChI=1S/C12H25N5/c1-6-12(2,3)16-11(15-10-13)14-8-7-9-17(4)5/h6-9H2,1-5H3,(H2,14,15,16)
InChIKeyRWTYCVWZPAKQAJ-UHFFFAOYSA-N
XLogP1.14
TPSA63.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine 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

1-butyl-2-[3-(dimethylamino)propyl]-3-ethylguanidine
CID 111150960
1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine
CID 162471610
2-[3-[3-[[amino-(cyanoamino)methylidene]amino]propyl-methylamino]propyl]-1-cyanoguanidine
CID 71325810
1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide
CID 110912093
1-cyano-2-[3-(dimethylamino)propyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 167844425
1-tert-butyl-2-[7-(dimethylamino)heptyl]guanidine;hydroiodide
CID 111084886
N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane
CID 144764548
1-[7-(dimethylamino)heptyl]-3-ethyl-2-pentylguanidine;hydroiodide
CID 111129406
1,3-diethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine;hydroiodide
CID 110915630
N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide
CID 110191303
2-[3-(dimethylamino)propyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135292
8-[[anilino-(cyanoamino)methylidene]amino]-N,N-dimethyloctanamide
CID 134458704

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine?
The IUPAC name of 1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine (CID 3050792) is 1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine.
What is the SMILES notation for 1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine?
The canonical SMILES for 1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine is CCC(C)(C)N/C(=N/CCCN(C)C)NC#N.
What is the InChIKey of 1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine?
The InChIKey is RWTYCVWZPAKQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-6-12(2,3)16-11(15-10-13)14-8-7-9-17(4)5/h6-9H2,1-5H3,(H2,14,15,16).
What are the key properties of 1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine?
1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine has a molecular weight of 239.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[3-(dimethylamino)propyl]-3-(2-methylbutan-2-yl)guanidine is sourced from PubChem (CID 3050792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).