1-dodecyl-1-methylguanidine

C14H31N3 — CID 23124068

IUPAC1-dodecyl-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCCCCCCCCCCC
InChIInChI=1S/C14H31N3/c1-3-4-5-6-7-8-9-10-11-12-13-17(2)14(15)16/h3-13H2,1-2H3,(H3,15,16)
InChIKeyFOMQGKWYSOTNAP-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.73
Rot. Bonds11

About 1-dodecyl-1-methylguanidine

1-dodecyl-1-methylguanidine (PubChem CID 23124068) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-dodecyl-1-methylguanidine.

Molecular Properties

Compound Name1-dodecyl-1-methylguanidine
PubChem CID23124068
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-dodecyl-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCCCCCCCCCCC
InChIInChI=1S/C14H31N3/c1-3-4-5-6-7-8-9-10-11-12-13-17(2)14(15)16/h3-13H2,1-2H3,(H3,15,16)
InChIKeyFOMQGKWYSOTNAP-UHFFFAOYSA-N
XLogP3.73
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-1-methylguanidine?
The IUPAC name of 1-dodecyl-1-methylguanidine (CID 23124068) is 1-dodecyl-1-methylguanidine.
What is the SMILES notation for 1-dodecyl-1-methylguanidine?
The canonical SMILES for 1-dodecyl-1-methylguanidine is [H]/N=C(\N)N(C)CCCCCCCCCCCC.
What is the InChIKey of 1-dodecyl-1-methylguanidine?
The InChIKey is FOMQGKWYSOTNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-3-4-5-6-7-8-9-10-11-12-13-17(2)14(15)16/h3-13H2,1-2H3,(H3,15,16).
What are the key properties of 1-dodecyl-1-methylguanidine?
1-dodecyl-1-methylguanidine has a molecular weight of 241.42 g/mol, XLogP of 3.73, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-1-methylguanidine is sourced from PubChem (CID 23124068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).