N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide

C17H27IN4 — CID 110984997

IUPACN'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN1CCCCC1)N1CCc2ccccc21.I
InChIInChI=1S/C17H26N4.HI/c1-18-17(19-10-14-20-11-5-2-6-12-20)21-13-9-15-7-3-4-8-16(15)21;/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,18,19);1H
InChIKeyVPBLUISWKRHRHA-UHFFFAOYSA-N
MW414.34 g/mol
LogP2.73
Rot. Bonds3

About N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide

N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984997) has the molecular formula C17H27IN4 and a molecular weight of 414.34 g/mol. Its IUPAC name is N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110984997
Molecular FormulaC17H27IN4
Molecular Weight414.34 g/mol
Exact Mass414.13
IUPAC NameN'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN1CCCCC1)N1CCc2ccccc21.I
InChIInChI=1S/C17H26N4.HI/c1-18-17(19-10-14-20-11-5-2-6-12-20)21-13-9-15-7-3-4-8-16(15)21;/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,18,19);1H
InChIKeyVPBLUISWKRHRHA-UHFFFAOYSA-N
XLogP2.73
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243
N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110983754
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide
CID 110983752
N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984740
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 119116501
N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984215
N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 110983412
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485
methyl 5-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 110983814
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110984363

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984997) is N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide is C/N=C(\NCCN1CCCCC1)N1CCc2ccccc21.I.
What is the InChIKey of N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is VPBLUISWKRHRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4.HI/c1-18-17(19-10-14-20-11-5-2-6-12-20)21-13-9-15-7-3-4-8-16(15)21;/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,18,19);1H.
What are the key properties of N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 414.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).