N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide

C16H34N4 — CID 111154501

IUPACN-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide
SMILESCCN(CCN/C(=N\C)N1CC(C)CC(C)C1)C(C)C
InChIInChI=1S/C16H34N4/c1-7-19(13(2)3)9-8-18-16(17-6)20-11-14(4)10-15(5)12-20/h13-15H,7-12H2,1-6H3,(H,17,18)
InChIKeyZJSCVRAAXLVILE-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.27
Rot. Bonds5

About N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide

N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide (PubChem CID 111154501) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide
PubChem CID111154501
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC NameN-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide
SMILESCCN(CCN/C(=N\C)N1CC(C)CC(C)C1)C(C)C
InChIInChI=1S/C16H34N4/c1-7-19(13(2)3)9-8-18-16(17-6)20-11-14(4)10-15(5)12-20/h13-15H,7-12H2,1-6H3,(H,17,18)
InChIKeyZJSCVRAAXLVILE-UHFFFAOYSA-N
XLogP2.27
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.27
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'}

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Related Compounds

N-[2-(diethylamino)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153754
2-ethyl-N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486575
N-[3-[ethyl(methylsulfonyl)amino]propyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154674
3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide
CID 111153605
N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453638
N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111186120
N-(4-ethoxybutyl)-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154220
N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154391
N',3,5-trimethyl-N-prop-2-ynylpiperidine-1-carboximidamide
CID 111153539
1-[2-[ethyl(propan-2-yl)amino]ethyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978702
N-[2-(diethylamino)propyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211998
1-[2-[ethyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416482

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide (CID 111154501) is N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide is CCN(CCN/C(=N\C)N1CC(C)CC(C)C1)C(C)C.
What is the InChIKey of N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide?
The InChIKey is ZJSCVRAAXLVILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-7-19(13(2)3)9-8-18-16(17-6)20-11-14(4)10-15(5)12-20/h13-15H,7-12H2,1-6H3,(H,17,18).
What are the key properties of N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide?
N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide has a molecular weight of 282.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111154501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).