2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine

C13H28N4 — CID 62991543

IUPAC2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCC(C)CN1CCCC1
InChIInChI=1S/C13H28N4/c1-11(2)8-15-13(14)16-9-12(3)10-17-6-4-5-7-17/h11-12H,4-10H2,1-3H3,(H3,14,15,16)
InChIKeyQKJXQSHJWMAPEH-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.28
Rot. Bonds6

About 2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine

2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 62991543) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID62991543
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCC(C)CN1CCCC1
InChIInChI=1S/C13H28N4/c1-11(2)8-15-13(14)16-9-12(3)10-17-6-4-5-7-17/h11-12H,4-10H2,1-3H3,(H3,14,15,16)
InChIKeyQKJXQSHJWMAPEH-UHFFFAOYSA-N
XLogP1.28
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine (CID 62991543) is 2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine is CC(C)C/N=C(\N)NCC(C)CN1CCCC1.
What is the InChIKey of 2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is QKJXQSHJWMAPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-11(2)8-15-13(14)16-9-12(3)10-17-6-4-5-7-17/h11-12H,4-10H2,1-3H3,(H3,14,15,16).
What are the key properties of 2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 240.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 62991543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).