1-butyl-1-methyl-2-(2-methylpropyl)guanidine

C10H23N3 — CID 62360457

IUPAC1-butyl-1-methyl-2-(2-methylpropyl)guanidine
SMILESCCCCN(C)/C(N)=N/CC(C)C
InChIInChI=1S/C10H23N3/c1-5-6-7-13(4)10(11)12-8-9(2)3/h9H,5-8H2,1-4H3,(H2,11,12)
InChIKeyNAGPQRIHSTYTNU-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.69
Rot. Bonds5

About 1-butyl-1-methyl-2-(2-methylpropyl)guanidine

1-butyl-1-methyl-2-(2-methylpropyl)guanidine (PubChem CID 62360457) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-butyl-1-methyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-butyl-1-methyl-2-(2-methylpropyl)guanidine
PubChem CID62360457
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-butyl-1-methyl-2-(2-methylpropyl)guanidine
SMILESCCCCN(C)/C(N)=N/CC(C)C
InChIInChI=1S/C10H23N3/c1-5-6-7-13(4)10(11)12-8-9(2)3/h9H,5-8H2,1-4H3,(H2,11,12)
InChIKeyNAGPQRIHSTYTNU-UHFFFAOYSA-N
XLogP1.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-butyl-1-methyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-butyl-1-methyl-2-(2-methylpropyl)guanidine (CID 62360457) is 1-butyl-1-methyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-butyl-1-methyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-butyl-1-methyl-2-(2-methylpropyl)guanidine is CCCCN(C)/C(N)=N/CC(C)C.
What is the InChIKey of 1-butyl-1-methyl-2-(2-methylpropyl)guanidine?
The InChIKey is NAGPQRIHSTYTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-5-6-7-13(4)10(11)12-8-9(2)3/h9H,5-8H2,1-4H3,(H2,11,12).
What are the key properties of 1-butyl-1-methyl-2-(2-methylpropyl)guanidine?
1-butyl-1-methyl-2-(2-methylpropyl)guanidine has a molecular weight of 185.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-methyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62360457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).