5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C24H26N4 — CID 156850980

IUPAC5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILES[H]/N=C(\C1=CCCCC1)c1cc(NC2CCCc3cc(C#N)ccc32)ccc1N
InChIInChI=1S/C24H26N4/c25-15-16-9-11-20-18(13-16)7-4-8-23(20)28-19-10-12-22(26)21(14-19)24(27)17-5-2-1-3-6-17/h5,9-14,23,27-28H,1-4,6-8,26H2/b27-24+
InChIKeyMOSWNWIUWXWJES-SOYKGTTHSA-N
MW370.50 g/mol
LogP5.50
Rot. Bonds4

About 5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 156850980) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is 5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID156850980
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILES[H]/N=C(\C1=CCCCC1)c1cc(NC2CCCc3cc(C#N)ccc32)ccc1N
InChIInChI=1S/C24H26N4/c25-15-16-9-11-20-18(13-16)7-4-8-23(20)28-19-10-12-22(26)21(14-19)24(27)17-5-2-1-3-6-17/h5,9-14,23,27-28H,1-4,6-8,26H2/b27-24+
InChIKeyMOSWNWIUWXWJES-SOYKGTTHSA-N
XLogP5.50
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.50
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 5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 156850980) is 5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is [H]/N=C(\C1=CCCCC1)c1cc(NC2CCCc3cc(C#N)ccc32)ccc1N.
What is the InChIKey of 5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is MOSWNWIUWXWJES-SOYKGTTHSA-N. The full InChI is InChI=1S/C24H26N4/c25-15-16-9-11-20-18(13-16)7-4-8-23(20)28-19-10-12-22(26)21(14-19)24(27)17-5-2-1-3-6-17/h5,9-14,23,27-28H,1-4,6-8,26H2/b27-24+.
What are the key properties of 5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 370.50 g/mol, XLogP of 5.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 156850980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).