3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide

C13H26IN3 — CID 120666131

IUPAC3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCC[C@@H]1C[C@H]1/N=C(\N)N1CCCC(C)C1.I
InChIInChI=1S/C13H25N3.HI/c1-3-5-11-8-12(11)15-13(14)16-7-4-6-10(2)9-16;/h10-12H,3-9H2,1-2H3,(H2,14,15);1H/t10?,11-,12-;/m1./s1
InChIKeyPOAOVJOXRZOTHD-ILRKGUEASA-N
MW351.28 g/mol
LogP2.84
Rot. Bonds3

About 3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide

3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 120666131) has the molecular formula C13H26IN3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID120666131
Molecular FormulaC13H26IN3
Molecular Weight351.28 g/mol
Exact Mass351.12
IUPAC Name3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCC[C@@H]1C[C@H]1/N=C(\N)N1CCCC(C)C1.I
InChIInChI=1S/C13H25N3.HI/c1-3-5-11-8-12(11)15-13(14)16-7-4-6-10(2)9-16;/h10-12H,3-9H2,1-2H3,(H2,14,15);1H/t10?,11-,12-;/m1./s1
InChIKeyPOAOVJOXRZOTHD-ILRKGUEASA-N
XLogP2.84
TPSA41.62 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 ≤ 52.84
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

3-methyl-N'-(2-methylcyclobutyl)piperidine-1-carboximidamide
CID 120974001
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569
N'-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 122125675
N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119119004
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654
N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 120671744
N'-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboximidamide
CID 122097958
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 111042541
N'-[(1-cyclopropylpiperidin-4-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 120581654

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide (CID 120666131) is 3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide is CCC[C@@H]1C[C@H]1/N=C(\N)N1CCCC(C)C1.I.
What is the InChIKey of 3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is POAOVJOXRZOTHD-ILRKGUEASA-N. The full InChI is InChI=1S/C13H25N3.HI/c1-3-5-11-8-12(11)15-13(14)16-7-4-6-10(2)9-16;/h10-12H,3-9H2,1-2H3,(H2,14,15);1H/t10?,11-,12-;/m1./s1.
What are the key properties of 3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide?
3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 351.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(1R,2R)-2-propylcyclopropyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 120666131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).