N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide

C17H25N3O — CID 110983882

IUPACN-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CC1(O)CCCC1)N1CCc2ccccc21
InChIInChI=1S/C17H25N3O/c1-2-18-16(19-13-17(21)10-5-6-11-17)20-12-9-14-7-3-4-8-15(14)20/h3-4,7-8,21H,2,5-6,9-13H2,1H3,(H,18,19)
InChIKeyBVRYYGBMDUKWQR-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.32
Rot. Bonds3

About N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide

N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983882) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110983882
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CC1(O)CCCC1)N1CCc2ccccc21
InChIInChI=1S/C17H25N3O/c1-2-18-16(19-13-17(21)10-5-6-11-17)20-12-9-14-7-3-4-8-15(14)20/h3-4,7-8,21H,2,5-6,9-13H2,1H3,(H,18,19)
InChIKeyBVRYYGBMDUKWQR-UHFFFAOYSA-N
XLogP2.32
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 111495273
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983830
N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983994
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'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110983746
N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984233
N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 110984746
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide (CID 110983882) is N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide is CCN/C(=N\CC1(O)CCCC1)N1CCc2ccccc21.
What is the InChIKey of N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is BVRYYGBMDUKWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-18-16(19-13-17(21)10-5-6-11-17)20-12-9-14-7-3-4-8-15(14)20/h3-4,7-8,21H,2,5-6,9-13H2,1H3,(H,18,19).
What are the key properties of N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide?
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 287.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).