N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide

C18H28N4 — CID 110983830

IUPACN-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CC1CCN(C)CC1)N1CCc2ccccc21
InChIInChI=1S/C18H28N4/c1-3-19-18(20-14-15-8-11-21(2)12-9-15)22-13-10-16-6-4-5-7-17(16)22/h4-7,15H,3,8-14H2,1-2H3,(H,19,20)
InChIKeyYWDPCMCCXONOTP-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.36
Rot. Bonds3

About N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide

N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983830) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110983830
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\CC1CCN(C)CC1)N1CCc2ccccc21
InChIInChI=1S/C18H28N4/c1-3-19-18(20-14-15-8-11-21(2)12-9-15)22-13-10-16-6-4-5-7-17(16)22/h4-7,15H,3,8-14H2,1-2H3,(H,19,20)
InChIKeyYWDPCMCCXONOTP-UHFFFAOYSA-N
XLogP2.36
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.36
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-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984193
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983612
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-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'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
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
1-[4-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 110983760
N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide (CID 110983830) is N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide is CCN/C(=N\CC1CCN(C)CC1)N1CCc2ccccc21.
What is the InChIKey of N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is YWDPCMCCXONOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-3-19-18(20-14-15-8-11-21(2)12-9-15)22-13-10-16-6-4-5-7-17(16)22/h4-7,15H,3,8-14H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide?
N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 300.45 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).