3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine

C11H25N5 — CID 104885892

IUPAC3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine
SMILESCCC/N=C(\NN)N(C)CCN1CCCC1
InChIInChI=1S/C11H25N5/c1-3-6-13-11(14-12)15(2)9-10-16-7-4-5-8-16/h3-10,12H2,1-2H3,(H,13,14)
InChIKeyAJEHBQWYKHVMIF-UHFFFAOYSA-N
MW227.36 g/mol
LogP0.24
Rot. Bonds5

About 3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine

3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 104885892) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is 3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine
PubChem CID104885892
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC Name3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine
SMILESCCC/N=C(\NN)N(C)CCN1CCCC1
InChIInChI=1S/C11H25N5/c1-3-6-13-11(14-12)15(2)9-10-16-7-4-5-8-16/h3-10,12H2,1-2H3,(H,13,14)
InChIKeyAJEHBQWYKHVMIF-UHFFFAOYSA-N
XLogP0.24
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1,1,2-tripropylguanidine
CID 104883381
3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine
CID 104888977
3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 104886352
3-amino-1-methyl-2-propyl-1-(2-pyridin-4-ylethyl)guanidine
CID 116513513
N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
3-amino-2-(3-ethoxypropyl)-1-methyl-1-propylguanidine
CID 104883516
3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine
CID 104883678
3-amino-2-butyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885878
2-tert-butyl-1-methyl-1-(2-pyrrolidin-1-ylethyl)guanidine
CID 63208709
2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetohydrazide
CID 63573409
N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide
CID 104887294

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine (CID 104885892) is 3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine is CCC/N=C(\NN)N(C)CCN1CCCC1.
What is the InChIKey of 3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is AJEHBQWYKHVMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-3-6-13-11(14-12)15(2)9-10-16-7-4-5-8-16/h3-10,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine?
3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 227.36 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-2-propyl-1-(2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 104885892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).