2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine

C11H24N4 — CID 103646378

IUPAC2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine
SMILESCC(C)C/N=C(\N)NCC1CCCN1C
InChIInChI=1S/C11H24N4/c1-9(2)7-13-11(12)14-8-10-5-4-6-15(10)3/h9-10H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyDZHNTLCIPDVZSW-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.64
Rot. Bonds4

About 2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine

2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine (PubChem CID 103646378) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine
PubChem CID103646378
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine
SMILESCC(C)C/N=C(\N)NCC1CCCN1C
InChIInChI=1S/C11H24N4/c1-9(2)7-13-11(12)14-8-10-5-4-6-15(10)3/h9-10H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyDZHNTLCIPDVZSW-UHFFFAOYSA-N
XLogP0.64
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.64
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-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine (CID 103646378) is 2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine is CC(C)C/N=C(\N)NCC1CCCN1C.
What is the InChIKey of 2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
The InChIKey is DZHNTLCIPDVZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-9(2)7-13-11(12)14-8-10-5-4-6-15(10)3/h9-10H,4-8H2,1-3H3,(H3,12,13,14).
What are the key properties of 2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine?
2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine has a molecular weight of 212.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine is sourced from PubChem (CID 103646378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).