2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine

C18H20N4 — CID 156850812

IUPAC2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine
SMILESN#Cc1ccc2c(c1)CCC2.[H]/N=C(\C)c1cc(N)ccc1N
InChIInChI=1S/C10H9N.C8H11N3/c11-7-8-4-5-9-2-1-3-10(9)6-8;1-5(9)7-4-6(10)2-3-8(7)11/h4-6H,1-3H2;2-4,9H,10-11H2,1H3/b;9-5+
InChIKeyNCNNMSAVYJBCKZ-DTDKZNDQSA-N
MW292.39 g/mol
LogP3.29
Rot. Bonds1

About 2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine

2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine (PubChem CID 156850812) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine
PubChem CID156850812
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine
SMILESN#Cc1ccc2c(c1)CCC2.[H]/N=C(\C)c1cc(N)ccc1N
InChIInChI=1S/C10H9N.C8H11N3/c11-7-8-4-5-9-2-1-3-10(9)6-8;1-5(9)7-4-6(10)2-3-8(7)11/h4-6H,1-3H2;2-4,9H,10-11H2,1H3/b;9-5+
InChIKeyNCNNMSAVYJBCKZ-DTDKZNDQSA-N
XLogP3.29
TPSA99.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine?
The IUPAC name of 2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine (CID 156850812) is 2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine.
What is the SMILES notation for 2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine?
The canonical SMILES for 2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine is N#Cc1ccc2c(c1)CCC2.[H]/N=C(\C)c1cc(N)ccc1N.
What is the InChIKey of 2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine?
The InChIKey is NCNNMSAVYJBCKZ-DTDKZNDQSA-N. The full InChI is InChI=1S/C10H9N.C8H11N3/c11-7-8-4-5-9-2-1-3-10(9)6-8;1-5(9)7-4-6(10)2-3-8(7)11/h4-6H,1-3H2;2-4,9H,10-11H2,1H3/b;9-5+.
What are the key properties of 2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine?
2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine has a molecular weight of 292.39 g/mol, XLogP of 3.29, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine is sourced from PubChem (CID 156850812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).