N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

C17H32IN5 — CID 111210052

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)Cn1nc(C)cc1C)N1CCC(C)CC1.I
InChIInChI=1S/C17H31N5.HI/c1-13-6-8-21(9-7-13)17(18-5)19-11-14(2)12-22-16(4)10-15(3)20-22;/h10,13-14H,6-9,11-12H2,1-5H3,(H,18,19);1H
InChIKeyBTSRAYKHTYMWGZ-UHFFFAOYSA-N
MW433.38 g/mol
LogP3.06
Rot. Bonds4

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111210052) has the molecular formula C17H32IN5 and a molecular weight of 433.38 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111210052
Molecular FormulaC17H32IN5
Molecular Weight433.38 g/mol
Exact Mass433.17
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)Cn1nc(C)cc1C)N1CCC(C)CC1.I
InChIInChI=1S/C17H31N5.HI/c1-13-6-8-21(9-7-13)17(18-5)19-11-14(2)12-22-16(4)10-15(3)20-22;/h10,13-14H,6-9,11-12H2,1-5H3,(H,18,19);1H
InChIKeyBTSRAYKHTYMWGZ-UHFFFAOYSA-N
XLogP3.06
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 53.06
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-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489375
1-(1-cyclopentylpyrrolidin-3-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 111918238
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine
CID 91636205
N-[2-(diethylamino)propyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211998
1-(2-cycloheptyloxyethyl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 111575336
1-benzyl-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 110954645
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 94031608
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 111936795
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 55929291
N-[2-(dimethylamino)-2-phenylethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111209926
1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 86838513
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylguanidine
CID 109458832

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111210052) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCC(C)Cn1nc(C)cc1C)N1CCC(C)CC1.I.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is BTSRAYKHTYMWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5.HI/c1-13-6-8-21(9-7-13)17(18-5)19-11-14(2)12-22-16(4)10-15(3)20-22;/h10,13-14H,6-9,11-12H2,1-5H3,(H,18,19);1H.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 433.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111210052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).