2-cyano-1-dodecyl-1-methylguanidine

C15H30N4 — CID 86121345

IUPAC2-cyano-1-dodecyl-1-methylguanidine
SMILESCCCCCCCCCCCCN(C)/C(N)=N/C#N
InChIInChI=1S/C15H30N4/c1-3-4-5-6-7-8-9-10-11-12-13-19(2)15(17)18-14-16/h3-13H2,1-2H3,(H2,17,18)
InChIKeyMDCHPBZDVZXXOK-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.63
Rot. Bonds11

About 2-cyano-1-dodecyl-1-methylguanidine

2-cyano-1-dodecyl-1-methylguanidine (PubChem CID 86121345) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-cyano-1-dodecyl-1-methylguanidine.

Molecular Properties

Compound Name2-cyano-1-dodecyl-1-methylguanidine
PubChem CID86121345
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-cyano-1-dodecyl-1-methylguanidine
SMILESCCCCCCCCCCCCN(C)/C(N)=N/C#N
InChIInChI=1S/C15H30N4/c1-3-4-5-6-7-8-9-10-11-12-13-19(2)15(17)18-14-16/h3-13H2,1-2H3,(H2,17,18)
InChIKeyMDCHPBZDVZXXOK-UHFFFAOYSA-N
XLogP3.63
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethyl)-2-cyano-1-methylguanidine
CID 57238428
2-tert-butyl-1-methyl-1-pentylguanidine
CID 62359388
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
1-heptyl-1-methylthiourea
CID 10241584
3-(diaminomethylidene)-1-methyl-1-octadecylguanidine
CID 3641541
3-(diaminomethylidene)-1-methyl-1-tridecylguanidine;hydrochloride
CID 86657167
2-(N'-cyclohexylcarbamimidoyl)-1-hexyl-1-methylguanidine
CID 174660091
1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide
CID 142691443
hexadecyl(methyl)carbamic acid
CID 15173799
N-decyl-N-methylacetamide
CID 22114742
1-butyl-1-methyl-2-(2-methylpropyl)guanidine
CID 62360457
(Z)-N'-hexyl-N'-methylbut-2-enediamide
CID 87339309

Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-dodecyl-1-methylguanidine?
The IUPAC name of 2-cyano-1-dodecyl-1-methylguanidine (CID 86121345) is 2-cyano-1-dodecyl-1-methylguanidine.
What is the SMILES notation for 2-cyano-1-dodecyl-1-methylguanidine?
The canonical SMILES for 2-cyano-1-dodecyl-1-methylguanidine is CCCCCCCCCCCCN(C)/C(N)=N/C#N.
What is the InChIKey of 2-cyano-1-dodecyl-1-methylguanidine?
The InChIKey is MDCHPBZDVZXXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-3-4-5-6-7-8-9-10-11-12-13-19(2)15(17)18-14-16/h3-13H2,1-2H3,(H2,17,18).
What are the key properties of 2-cyano-1-dodecyl-1-methylguanidine?
2-cyano-1-dodecyl-1-methylguanidine has a molecular weight of 266.43 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-dodecyl-1-methylguanidine is sourced from PubChem (CID 86121345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).