N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

C15H22IN3 — CID 110985097

IUPACN'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CC1)N1CCc2ccccc21.I
InChIInChI=1S/C15H21N3.HI/c1-2-16-15(17-11-12-7-8-12)18-10-9-13-5-3-4-6-14(13)18;/h3-6,12H,2,7-11H2,1H3,(H,16,17);1H
InChIKeyVEMRFYHZRXLPNS-UHFFFAOYSA-N
MW371.27 g/mol
LogP3.04
Rot. Bonds3

About N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110985097) has the molecular formula C15H22IN3 and a molecular weight of 371.27 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110985097
Molecular FormulaC15H22IN3
Molecular Weight371.27 g/mol
Exact Mass371.09
IUPAC NameN'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CC1)N1CCc2ccccc21.I
InChIInChI=1S/C15H21N3.HI/c1-2-16-15(17-11-12-7-8-12)18-10-9-13-5-3-4-6-14(13)18;/h3-6,12H,2,7-11H2,1H3,(H,16,17);1H
InChIKeyVEMRFYHZRXLPNS-UHFFFAOYSA-N
XLogP3.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983830
N-ethyl-N'-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984193
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N'-[2-(2-butoxyethoxy)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 111495414
N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide
CID 110984904
N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110984024
N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110985108
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983612
N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984233
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983882
N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983994

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110985097) is N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CC1)N1CCc2ccccc21.I.
What is the InChIKey of N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is VEMRFYHZRXLPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3.HI/c1-2-16-15(17-11-12-7-8-12)18-10-9-13-5-3-4-6-14(13)18;/h3-6,12H,2,7-11H2,1H3,(H,16,17);1H.
What are the key properties of N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 371.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110985097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).