N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

C19H31IN4O — CID 111548684

IUPACN-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCOCC1C)N1CCc2ccccc21.I
InChIInChI=1S/C19H30N4O.HI/c1-4-20-19(23-10-9-17-7-5-6-8-18(17)23)21-13-15(2)22-11-12-24-14-16(22)3;/h5-8,15-16H,4,9-14H2,1-3H3,(H,20,21);1H
InChIKeyRVDYZJAMKRZQMC-UHFFFAOYSA-N
MW458.39 g/mol
LogP2.74
Rot. Bonds4

About N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 111548684) has the molecular formula C19H31IN4O and a molecular weight of 458.39 g/mol. Its IUPAC name is N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID111548684
Molecular FormulaC19H31IN4O
Molecular Weight458.39 g/mol
Exact Mass458.15
IUPAC NameN-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCOCC1C)N1CCc2ccccc21.I
InChIInChI=1S/C19H30N4O.HI/c1-4-20-19(23-10-9-17-7-5-6-8-18(17)23)21-13-15(2)22-11-12-24-14-16(22)3;/h5-8,15-16H,4,9-14H2,1-3H3,(H,20,21);1H
InChIKeyRVDYZJAMKRZQMC-UHFFFAOYSA-N
XLogP2.74
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-2-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 111837410
N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110985108
N'-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 119116501
N-ethyl-N'-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,3-dihydroindole-1-carboximidamide
CID 119116474
N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984421
N-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N-ethyl-N'-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983387
1-ethyl-2-[2-(3-methylmorpholin-4-yl)propyl]-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111840088
N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 110984746
N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984233

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 111548684) is N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)N1CCOCC1C)N1CCc2ccccc21.I.
What is the InChIKey of N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is RVDYZJAMKRZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.HI/c1-4-20-19(23-10-9-17-7-5-6-8-18(17)23)21-13-15(2)22-11-12-24-14-16(22)3;/h5-8,15-16H,4,9-14H2,1-3H3,(H,20,21);1H.
What are the key properties of N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 458.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111548684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).