N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

C16H35IN4 — CID 111153754

IUPACN-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN(CC)C(C)CN/C(=N\C)N1CC(C)CC(C)C1.I
InChIInChI=1S/C16H34N4.HI/c1-7-19(8-2)15(5)10-18-16(17-6)20-11-13(3)9-14(4)12-20;/h13-15H,7-12H2,1-6H3,(H,17,18);1H
InChIKeyCFHSYKVSZSPDNT-UHFFFAOYSA-N
MW410.39 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111153754) has the molecular formula C16H35IN4 and a molecular weight of 410.39 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111153754
Molecular FormulaC16H35IN4
Molecular Weight410.39 g/mol
Exact Mass410.19
IUPAC NameN-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN(CC)C(C)CN/C(=N\C)N1CC(C)CC(C)C1.I
InChIInChI=1S/C16H34N4.HI/c1-7-19(8-2)15(5)10-18-16(17-6)20-11-13(3)9-14(4)12-20;/h13-15H,7-12H2,1-6H3,(H,17,18);1H
InChIKeyCFHSYKVSZSPDNT-UHFFFAOYSA-N
XLogP2.89
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)propyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211998
N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154501
N-[2-(diethylamino)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489849
N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154391
N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide
CID 111153539
N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111983728
N-[3-[ethyl(methylsulfonyl)amino]propyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154674
N',3,5-trimethyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153844
N-(4-ethoxybutyl)-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154220
3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide
CID 111153605
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153173
1-[2-(diethylamino)propyl]-3-(2-ethylbutyl)-2-methylguanidine;hydroiodide
CID 111890678

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (CID 111153754) is N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is CCN(CC)C(C)CN/C(=N\C)N1CC(C)CC(C)C1.I.
What is the InChIKey of N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is CFHSYKVSZSPDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4.HI/c1-7-19(8-2)15(5)10-18-16(17-6)20-11-13(3)9-14(4)12-20;/h13-15H,7-12H2,1-6H3,(H,17,18);1H.
What are the key properties of N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 410.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).