2-decyl-1,1,3,3-tetramethylguanidine

C15H33N3 — CID 13127985

IUPAC2-decyl-1,1,3,3-tetramethylguanidine
SMILESCCCCCCCCCCN=C(N(C)C)N(C)C
InChIInChI=1S/C15H33N3/c1-6-7-8-9-10-11-12-13-14-16-15(17(2)3)18(4)5/h6-14H2,1-5H3
InChIKeyLXAAEFRNYANHEH-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.61
Rot. Bonds9

About 2-decyl-1,1,3,3-tetramethylguanidine

2-decyl-1,1,3,3-tetramethylguanidine (PubChem CID 13127985) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-decyl-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-decyl-1,1,3,3-tetramethylguanidine
PubChem CID13127985
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-decyl-1,1,3,3-tetramethylguanidine
SMILESCCCCCCCCCCN=C(N(C)C)N(C)C
InChIInChI=1S/C15H33N3/c1-6-7-8-9-10-11-12-13-14-16-15(17(2)3)18(4)5/h6-14H2,1-5H3
InChIKeyLXAAEFRNYANHEH-UHFFFAOYSA-N
XLogP3.61
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-decyl-1,1,3,3-tetramethylguanidine 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

1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine
CID 159110043
CID 155632800
CID 155632800
1,1,3,3-tetramethyl-2-(5-methylhexyl)guanidine
CID 111813185
carbonic acid;N,N-dimethyl-N'-octylethanimidamide
CID 173151477
carbonic acid;N'-hexyl-N,N-dimethylethanimidamide
CID 173151515
N,N,2-trimethyl-N'-pentylpropanimidamide
CID 525910
2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111025375
2-[3-[ethylsulfonyl(methyl)amino]propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111066394
methyl 7-[bis(dimethylamino)methylideneamino]heptanoate;hydroiodide
CID 111040562
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine
CID 135038431

Frequently Asked Questions

What is the IUPAC name of 2-decyl-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-decyl-1,1,3,3-tetramethylguanidine (CID 13127985) is 2-decyl-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-decyl-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-decyl-1,1,3,3-tetramethylguanidine is CCCCCCCCCCN=C(N(C)C)N(C)C.
What is the InChIKey of 2-decyl-1,1,3,3-tetramethylguanidine?
The InChIKey is LXAAEFRNYANHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-7-8-9-10-11-12-13-14-16-15(17(2)3)18(4)5/h6-14H2,1-5H3.
What are the key properties of 2-decyl-1,1,3,3-tetramethylguanidine?
2-decyl-1,1,3,3-tetramethylguanidine has a molecular weight of 255.45 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 13127985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).