1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide

C20H20N4 — CID 123328660

IUPAC1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide
SMILESC=C(N/C(=N\C)c1cccc2c1CCC2N)c1cccc(C#N)c1
InChIInChI=1S/C20H20N4/c1-13(15-6-3-5-14(11-15)12-21)24-20(23-2)18-8-4-7-17-16(18)9-10-19(17)22/h3-8,11,19H,1,9-10,22H2,2H3,(H,23,24)
InChIKeyBOCRINFVKSQGQV-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.14
Rot. Bonds3

About 1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide

1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide (PubChem CID 123328660) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide.

Molecular Properties

Compound Name1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide
PubChem CID123328660
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide
SMILESC=C(N/C(=N\C)c1cccc2c1CCC2N)c1cccc(C#N)c1
InChIInChI=1S/C20H20N4/c1-13(15-6-3-5-14(11-15)12-21)24-20(23-2)18-8-4-7-17-16(18)9-10-19(17)22/h3-8,11,19H,1,9-10,22H2,2H3,(H,23,24)
InChIKeyBOCRINFVKSQGQV-UHFFFAOYSA-N
XLogP3.14
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-amino-N-[4-[N-[1-(3-cyano-4-propan-2-yloxyphenyl)ethenyl]-N'-methylcarbamimidoyl]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-1-carboxamide
CID 123934000
1-[4-[N-[1-(3-cyano-4-propan-2-yloxyphenyl)ethenyl]-N'-methylcarbamimidoyl]-2,3-dihydro-1H-inden-1-yl]-N,N-dimethylazetidine-3-carboxamide
CID 123514266
methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
CID 59505387
(1R)-1-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 130682508
(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 59461618
4-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-3-methylbenzonitrile
CID 114479486
(3R)-3-amino-7-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 131020030
4-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-3-fluorobenzonitrile
CID 63090985
(1R)-1-amino-2,3-dihydro-1H-indene-4,6-dicarbonitrile
CID 130631178
N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide
CID 143176609
(1R)-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 134159261
1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 55292008

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide?
The IUPAC name of 1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide (CID 123328660) is 1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide.
What is the SMILES notation for 1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide?
The canonical SMILES for 1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide is C=C(N/C(=N\C)c1cccc2c1CCC2N)c1cccc(C#N)c1.
What is the InChIKey of 1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide?
The InChIKey is BOCRINFVKSQGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-13(15-6-3-5-14(11-15)12-21)24-20(23-2)18-8-4-7-17-16(18)9-10-19(17)22/h3-8,11,19H,1,9-10,22H2,2H3,(H,23,24).
What are the key properties of 1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide?
1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide has a molecular weight of 316.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(3-cyanophenyl)ethenyl]-N'-methyl-2,3-dihydro-1H-indene-4-carboximidamide is sourced from PubChem (CID 123328660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).