N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide

C14H29N3 — CID 111154559

IUPACN-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)C)N1CC(C)CC(C)C1
InChIInChI=1S/C14H29N3/c1-6-15-14(16-8-11(2)3)17-9-12(4)7-13(5)10-17/h11-13H,6-10H2,1-5H3,(H,15,16)
InChIKeyIBEYLBNQDMJBAV-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.59
Rot. Bonds3

About N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide

N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide (PubChem CID 111154559) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
PubChem CID111154559
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)C)N1CC(C)CC(C)C1
InChIInChI=1S/C14H29N3/c1-6-15-14(16-8-11(2)3)17-9-12(4)7-13(5)10-17/h11-13H,6-10H2,1-5H3,(H,15,16)
InChIKeyIBEYLBNQDMJBAV-UHFFFAOYSA-N
XLogP2.59
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide
CID 111153821
methyl 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-2-methylpropanoate
CID 111153272
N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111983767
N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153504
N-ethyl-N'-(2-methylpropyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144539
N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
CID 111154732
3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide
CID 111154267
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
CID 111153162
N-ethyl-3,5-dimethyl-N'-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111153452
N-ethyl-N'-[(4-hydroxyphenyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153338
3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide
CID 111153753
N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide (CID 111154559) is N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide is CCN/C(=N\CC(C)C)N1CC(C)CC(C)C1.
What is the InChIKey of N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
The InChIKey is IBEYLBNQDMJBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-6-15-14(16-8-11(2)3)17-9-12(4)7-13(5)10-17/h11-13H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide?
N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide has a molecular weight of 239.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111154559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).