N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

C16H33IN4O — CID 111144043

IUPACN-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN(CCOC)C1CC1)N1CCCC(C)C1.I
InChIInChI=1S/C16H32N4O.HI/c1-14-5-4-9-20(13-14)16(17-2)18-8-10-19(11-12-21-3)15-6-7-15;/h14-15H,4-13H2,1-3H3,(H,17,18);1H
InChIKeyANTMJUJXLQKURE-UHFFFAOYSA-N
MW424.37 g/mol
LogP2.02
Rot. Bonds7

About N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111144043) has the molecular formula C16H33IN4O and a molecular weight of 424.37 g/mol. Its IUPAC name is N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111144043
Molecular FormulaC16H33IN4O
Molecular Weight424.37 g/mol
Exact Mass424.17
IUPAC NameN-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN(CCOC)C1CC1)N1CCCC(C)C1.I
InChIInChI=1S/C16H32N4O.HI/c1-14-5-4-9-20(13-14)16(17-2)18-8-10-19(11-12-21-3)15-6-7-15;/h14-15H,4-13H2,1-3H3,(H,17,18);1H
InChIKeyANTMJUJXLQKURE-UHFFFAOYSA-N
XLogP2.02
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 52.02
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

N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145255
N-[2-[cyclohexyl(methyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143840
tert-butyl N-cyclopropyl-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]carbamate
CID 111145282
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416542
N-(2-methoxyethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211562
methyl 3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate
CID 111145348
N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111145605
N-[2-(2-butoxyethoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111499230
N',3-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-carboximidamide;hydroiodide
CID 111143715
N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111290688
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443286
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110982416

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111144043) is N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCN(CCOC)C1CC1)N1CCCC(C)C1.I.
What is the InChIKey of N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is ANTMJUJXLQKURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O.HI/c1-14-5-4-9-20(13-14)16(17-2)18-8-10-19(11-12-21-3)15-6-7-15;/h14-15H,4-13H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 424.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111144043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).