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

C12H27N5 — CID 104882599

IUPACN-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILESCC(C)C/N=C(\NN)N1CCCC1CN(C)C
InChIInChI=1S/C12H27N5/c1-10(2)8-14-12(15-13)17-7-5-6-11(17)9-16(3)4/h10-11H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyXDTOSTPYBWZGFR-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.49
Rot. Bonds4

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

N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide (PubChem CID 104882599) has the molecular formula C12H27N5 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
PubChem CID104882599
Molecular FormulaC12H27N5
Molecular Weight241.38 g/mol
Exact Mass241.23
IUPAC NameN-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILESCC(C)C/N=C(\NN)N1CCCC1CN(C)C
InChIInChI=1S/C12H27N5/c1-10(2)8-14-12(15-13)17-7-5-6-11(17)9-16(3)4/h10-11H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyXDTOSTPYBWZGFR-UHFFFAOYSA-N
XLogP0.49
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.49
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'}

Analyze N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
CID 62887688
N-amino-4-tert-butyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104884230
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
1-amino-2-(2-methylpropyl)-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 106026186
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide
CID 63573193
N-amino-N'-(2-methylpropyl)-1,4-thiazepane-4-carboximidamide
CID 104885614
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 63090742
(2R)-2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757005
(2S)-2-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 62889558
N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104887147
N-amino-2-ethyl-N'-propylazepane-1-carboximidamide
CID 104888675
(2-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 64824655

Frequently Asked Questions

What is the IUPAC name of N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide (CID 104882599) is N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide is CC(C)C/N=C(\NN)N1CCCC1CN(C)C.
What is the InChIKey of N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The InChIKey is XDTOSTPYBWZGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5/c1-10(2)8-14-12(15-13)17-7-5-6-11(17)9-16(3)4/h10-11H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide has a molecular weight of 241.38 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-[(dimethylamino)methyl]-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 104882599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).