N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C15H31IN4O — CID 111098316

IUPACN'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOCCN1CCCC1C/N=C(\N)N1CCCC(C)C1.I
InChIInChI=1S/C15H30N4O.HI/c1-13-5-3-8-19(12-13)15(16)17-11-14-6-4-7-18(14)9-10-20-2;/h13-14H,3-12H2,1-2H3,(H2,16,17);1H
InChIKeyBWUJTOZUKSGLIW-UHFFFAOYSA-N
MW410.34 g/mol
LogP1.76
Rot. Bonds5

About N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111098316) has the molecular formula C15H31IN4O and a molecular weight of 410.34 g/mol. Its IUPAC name is N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111098316
Molecular FormulaC15H31IN4O
Molecular Weight410.34 g/mol
Exact Mass410.15
IUPAC NameN'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOCCN1CCCC1C/N=C(\N)N1CCCC(C)C1.I
InChIInChI=1S/C15H30N4O.HI/c1-13-5-3-8-19(12-13)15(16)17-11-14-6-4-7-18(14)9-10-20-2;/h13-14H,3-12H2,1-2H3,(H2,16,17);1H
InChIKeyBWUJTOZUKSGLIW-UHFFFAOYSA-N
XLogP1.76
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 111076809
tert-butyl 4-[N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111098324
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide
CID 111095284
N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026588
4-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 110921095
N-ethyl-N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109443733
N'-[(1-cyclopropylpiperidin-4-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 120581654
1-cyclopropyl-3-ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
CID 110989004
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569
3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
CID 111091304
1-ethyl-3-(2-methoxyethyl)-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
CID 110941788

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111098316) is N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is COCCN1CCCC1C/N=C(\N)N1CCCC(C)C1.I.
What is the InChIKey of N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is BWUJTOZUKSGLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.HI/c1-13-5-3-8-19(12-13)15(16)17-11-14-6-4-7-18(14)9-10-20-2;/h13-14H,3-12H2,1-2H3,(H2,16,17);1H.
What are the key properties of N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 410.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111098316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).