N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide

C18H28N4 — CID 110985108

IUPACN'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CC(C1CC1)N(C)C)N1CCc2ccccc21
InChIInChI=1S/C18H28N4/c1-4-19-18(20-13-17(21(2)3)15-9-10-15)22-12-11-14-7-5-6-8-16(14)22/h5-8,15,17H,4,9-13H2,1-3H3,(H,19,20)
InChIKeyIXZMIOPDEAWCSD-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.35
Rot. Bonds5

About N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide

N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 110985108) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
PubChem CID110985108
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CC(C1CC1)N(C)C)N1CCc2ccccc21
InChIInChI=1S/C18H28N4/c1-4-19-18(20-13-17(21(2)3)15-9-10-15)22-12-11-14-7-5-6-8-16(14)22/h5-8,15,17H,4,9-13H2,1-3H3,(H,19,20)
InChIKeyIXZMIOPDEAWCSD-UHFFFAOYSA-N
XLogP2.35
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.35
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'}

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Related Compounds

N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983830
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
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'-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985189
N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide
CID 110984904
N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110983746
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-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429
N-ethyl-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984201

Frequently Asked Questions

What is the IUPAC name of N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide (CID 110985108) is N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide is CCN/C(=N\CC(C1CC1)N(C)C)N1CCc2ccccc21.
What is the InChIKey of N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is IXZMIOPDEAWCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-4-19-18(20-13-17(21(2)3)15-9-10-15)22-12-11-14-7-5-6-8-16(14)22/h5-8,15,17H,4,9-13H2,1-3H3,(H,19,20).
What are the key properties of N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide?
N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 300.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110985108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).