N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide

C11H25N5 — CID 104887294

IUPACN-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCCC(N(C)C)C1
InChIInChI=1S/C11H25N5/c1-4-7-13-11(14-12)16-8-5-6-10(9-16)15(2)3/h10H,4-9,12H2,1-3H3,(H,13,14)
InChIKeyJSXWWGLDGRMRJK-UHFFFAOYSA-N
MW227.36 g/mol
LogP0.24
Rot. Bonds3

About N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide

N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide (PubChem CID 104887294) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide
PubChem CID104887294
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC NameN-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\NN)N1CCCC(N(C)C)C1
InChIInChI=1S/C11H25N5/c1-4-7-13-11(14-12)16-8-5-6-10(9-16)15(2)3/h10H,4-9,12H2,1-3H3,(H,13,14)
InChIKeyJSXWWGLDGRMRJK-UHFFFAOYSA-N
XLogP0.24
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

N-amino-3-(dimethylamino)-N'-(2-methoxyethyl)piperidine-1-carboximidamide
CID 104887299
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
N-amino-N'-propylthiomorpholine-4-carboximidamide
CID 104883433
N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide
CID 116513546
N-amino-3-morpholin-4-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104885951
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
N-amino-N'-butyl-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide
CID 104887572
N-amino-2-propan-2-yl-N'-propylpyrrolidine-1-carboximidamide
CID 104887147
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
N-amino-2-ethyl-N'-propylazepane-1-carboximidamide
CID 104888675
N-amino-N',2-dipropylpiperidine-1-carboximidamide
CID 104887900
N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380

Frequently Asked Questions

What is the IUPAC name of N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide?
The IUPAC name of N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide (CID 104887294) is N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide is CCC/N=C(\NN)N1CCCC(N(C)C)C1.
What is the InChIKey of N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide?
The InChIKey is JSXWWGLDGRMRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5/c1-4-7-13-11(14-12)16-8-5-6-10(9-16)15(2)3/h10H,4-9,12H2,1-3H3,(H,13,14).
What are the key properties of N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide?
N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide has a molecular weight of 227.36 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-(dimethylamino)-N'-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 104887294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).