N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide

C14H28IN3 — CID 111153504

IUPACN'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CC1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C14H27N3.HI/c1-4-15-14(16-8-13-5-6-13)17-9-11(2)7-12(3)10-17;/h11-13H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyUSQMRZKWTADVJN-UHFFFAOYSA-N
MW365.30 g/mol
LogP2.96
Rot. Bonds3

About N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide

N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111153504) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111153504
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC NameN'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CC1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C14H27N3.HI/c1-4-15-14(16-8-13-5-6-13)17-9-11(2)7-12(3)10-17;/h11-13H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyUSQMRZKWTADVJN-UHFFFAOYSA-N
XLogP2.96
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 52.96
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
(3R)-N'-(cyclopropylmethyl)-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111549681
N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 111154559
N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154391
N'-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
CID 111154732
N-ethyl-N'-(3-hydroxy-2-methylpropyl)-3,5-dimethylpiperidine-1-carboximidamide
CID 111153821
N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111983767
N-ethyl-3,5-dimethyl-N'-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111153452
N-cyclohexyl-2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111153660
N-ethyl-N'-[(4-hydroxyphenyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153338
N-ethyl-N'-[(4-methylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740859
4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide
CID 110962485

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111153504) is N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CC1)N1CC(C)CC(C)C1.I.
What is the InChIKey of N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is USQMRZKWTADVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-4-15-14(16-8-13-5-6-13)17-9-11(2)7-12(3)10-17;/h11-13H,4-10H2,1-3H3,(H,15,16);1H.
What are the key properties of N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide?
N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).