N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide

C12H22IN3 — CID 111144659

IUPACN-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide
SMILESC#CC/N=C(\NCC)N1CCCC(C)C1.I
InChIInChI=1S/C12H21N3.HI/c1-4-8-14-12(13-5-2)15-9-6-7-11(3)10-15;/h1,11H,5-10H2,2-3H3,(H,13,14);1H
InChIKeyJAFIJYLEUPHRQQ-UHFFFAOYSA-N
MW335.23 g/mol
LogP1.93
Rot. Bonds2

About N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide

N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111144659) has the molecular formula C12H22IN3 and a molecular weight of 335.23 g/mol. Its IUPAC name is N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111144659
Molecular FormulaC12H22IN3
Molecular Weight335.23 g/mol
Exact Mass335.09
IUPAC NameN-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide
SMILESC#CC/N=C(\NCC)N1CCCC(C)C1.I
InChIInChI=1S/C12H21N3.HI/c1-4-8-14-12(13-5-2)15-9-6-7-11(3)10-15;/h1,11H,5-10H2,2-3H3,(H,13,14);1H
InChIKeyJAFIJYLEUPHRQQ-UHFFFAOYSA-N
XLogP1.93
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 51.93
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
N-ethyl-3-(methoxymethyl)-N'-prop-2-ynylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143443
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'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144639
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144259
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-3-methylpiperidine-1-carboximidamide
CID 111144884
N-ethyl-N'-[4-(3-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955493
N-ethyl-N'-[2-(methanesulfonamido)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144709
N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111145411
N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111145458
N-ethyl-N'-[(4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144647

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide (CID 111144659) is N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide is C#CC/N=C(\NCC)N1CCCC(C)C1.I.
What is the InChIKey of N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is JAFIJYLEUPHRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3.HI/c1-4-8-14-12(13-5-2)15-9-6-7-11(3)10-15;/h1,11H,5-10H2,2-3H3,(H,13,14);1H.
What are the key properties of N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide?
N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 335.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111144659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).