1,1,3,3-tetramethyl-2-octadecylguanidine

C23H49N3 — CID 153446328

IUPAC1,1,3,3-tetramethyl-2-octadecylguanidine
SMILESCCCCCCCCCCCCCCCCCCN=C(N(C)C)N(C)C
InChIInChI=1S/C23H49N3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(25(2)3)26(4)5/h6-22H2,1-5H3
InChIKeyVZGPSTYELMPCEC-UHFFFAOYSA-N
MW367.67 g/mol
LogP6.73
Rot. Bonds17

About 1,1,3,3-tetramethyl-2-octadecylguanidine

1,1,3,3-tetramethyl-2-octadecylguanidine (PubChem CID 153446328) has the molecular formula C23H49N3 and a molecular weight of 367.67 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-octadecylguanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-octadecylguanidine
PubChem CID153446328
Molecular FormulaC23H49N3
Molecular Weight367.67 g/mol
Exact Mass367.39
IUPAC Name1,1,3,3-tetramethyl-2-octadecylguanidine
SMILESCCCCCCCCCCCCCCCCCCN=C(N(C)C)N(C)C
InChIInChI=1S/C23H49N3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(25(2)3)26(4)5/h6-22H2,1-5H3
InChIKeyVZGPSTYELMPCEC-UHFFFAOYSA-N
XLogP6.73
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.67
LogP ≤ 56.73
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'}

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Related Compounds

2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
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
1,1,3,3-tetramethyl-2-(3-trihydroxysilylpropyl)guanidine
CID 135038431
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-octadecylguanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-octadecylguanidine (CID 153446328) is 1,1,3,3-tetramethyl-2-octadecylguanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-octadecylguanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-octadecylguanidine is CCCCCCCCCCCCCCCCCCN=C(N(C)C)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-octadecylguanidine?
The InChIKey is VZGPSTYELMPCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(25(2)3)26(4)5/h6-22H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-octadecylguanidine?
1,1,3,3-tetramethyl-2-octadecylguanidine has a molecular weight of 367.67 g/mol, XLogP of 6.73, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-octadecylguanidine is sourced from PubChem (CID 153446328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).