N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide

C12H27N5 — CID 104882592

IUPACN-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCCC1CN(C)C
InChIInChI=1S/C12H27N5/c1-4-5-8-14-12(15-13)17-9-6-7-11(17)10-16(2)3/h11H,4-10,13H2,1-3H3,(H,14,15)
InChIKeyNFDRJUBIAZMZLD-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.63
Rot. Bonds5

About N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide

N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide (PubChem CID 104882592) has the molecular formula C12H27N5 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide
PubChem CID104882592
Molecular FormulaC12H27N5
Molecular Weight241.38 g/mol
Exact Mass241.23
IUPAC NameN-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCCC1CN(C)C
InChIInChI=1S/C12H27N5/c1-4-5-8-14-12(15-13)17-9-6-7-11(17)10-16(2)3/h11H,4-10,13H2,1-3H3,(H,14,15)
InChIKeyNFDRJUBIAZMZLD-UHFFFAOYSA-N
XLogP0.63
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide (CID 104882592) is N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide is CCCC/N=C(\NN)N1CCCC1CN(C)C.
What is the InChIKey of N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is NFDRJUBIAZMZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5/c1-4-5-8-14-12(15-13)17-9-6-7-11(17)10-16(2)3/h11H,4-10,13H2,1-3H3,(H,14,15).
What are the key properties of N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide?
N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 241.38 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 104882592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).