N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide

C13H26IN3 — CID 111144379

IUPACN'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CC1)N1CCCC(C)C1.I
InChIInChI=1S/C13H25N3.HI/c1-3-14-13(15-9-12-6-7-12)16-8-4-5-11(2)10-16;/h11-12H,3-10H2,1-2H3,(H,14,15);1H
InChIKeyZQZCEPLLMIFBBP-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.71
Rot. Bonds3

About N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111144379) has the molecular formula C13H26IN3 and a molecular weight of 351.28 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111144379
Molecular FormulaC13H26IN3
Molecular Weight351.28 g/mol
Exact Mass351.12
IUPAC NameN'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CC1)N1CCCC(C)C1.I
InChIInChI=1S/C13H25N3.HI/c1-3-14-13(15-9-12-6-7-12)16-8-4-5-11(2)10-16;/h11-12H,3-10H2,1-2H3,(H,14,15);1H
InChIKeyZQZCEPLLMIFBBP-UHFFFAOYSA-N
XLogP2.71
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.71
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-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111145458
N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153504
N'-[(1,1-dioxothiolan-3-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144109
(3R)-N'-(cyclopropylmethyl)-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111549681
N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide
CID 111144659
N-ethyl-3-methyl-N'-prop-2-enylpiperidine-1-carboximidamide
CID 111144992
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide
CID 111144020
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144259
N-ethyl-N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144639
ethyl 1-[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]piperidine-3-carboxylate
CID 110994935
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboximidamide
CID 111144884
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111499233

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111144379) is N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CC1)N1CCCC(C)C1.I.
What is the InChIKey of N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is ZQZCEPLLMIFBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.HI/c1-3-14-13(15-9-12-6-7-12)16-8-4-5-11(2)10-16;/h11-12H,3-10H2,1-2H3,(H,14,15);1H.
What are the key properties of N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 351.28 g/mol, XLogP of 2.71, 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-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111144379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).