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

C19H31IN4O — CID 110984855

IUPACN'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCN(CCOC)C1CC1)N1CCc2ccccc21.I
InChIInChI=1S/C19H30N4O.HI/c1-3-20-19(23-12-10-16-6-4-5-7-18(16)23)21-11-13-22(14-15-24-2)17-8-9-17;/h4-7,17H,3,8-15H2,1-2H3,(H,20,21);1H
InChIKeyYERSWQKHEHWBSQ-UHFFFAOYSA-N
MW458.39 g/mol
LogP2.74
Rot. Bonds8

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

N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984855) has the molecular formula C19H31IN4O and a molecular weight of 458.39 g/mol. Its IUPAC name is N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110984855
Molecular FormulaC19H31IN4O
Molecular Weight458.39 g/mol
Exact Mass458.15
IUPAC NameN'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCN(CCOC)C1CC1)N1CCc2ccccc21.I
InChIInChI=1S/C19H30N4O.HI/c1-3-20-19(23-12-10-16-6-4-5-7-18(16)23)21-11-13-22(14-15-24-2)17-8-9-17;/h4-7,17H,3,8-15H2,1-2H3,(H,20,21);1H
InChIKeyYERSWQKHEHWBSQ-UHFFFAOYSA-N
XLogP2.74
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 52.74
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-ethyl-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984201
N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-4-(2-hydroxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111186421
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111133965
N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110984024
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 111495414
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983624
N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
N-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985189
N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110983746

Frequently Asked Questions

What is the IUPAC name of N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984855) is N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN/C(=N\CCN(CCOC)C1CC1)N1CCc2ccccc21.I.
What is the InChIKey of N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is YERSWQKHEHWBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.HI/c1-3-20-19(23-12-10-16-6-4-5-7-18(16)23)21-11-13-22(14-15-24-2)17-8-9-17;/h4-7,17H,3,8-15H2,1-2H3,(H,20,21);1H.
What are the key properties of N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 458.39 g/mol, XLogP of 2.74, 8 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-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).