(Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile

C19H21N3 — CID 144924118

IUPAC(Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile
SMILESCCC/C(N)=C(C#N)\C(=C(/C)N)c1cccc2ccccc12
InChIInChI=1S/C19H21N3/c1-3-7-18(22)17(12-20)19(13(2)21)16-11-6-9-14-8-4-5-10-15(14)16/h4-6,8-11H,3,7,21-22H2,1-2H3/b18-17+,19-13+
InChIKeyOTSGVJKKPUWWEG-RDTSSGBFSA-N
MW291.40 g/mol
LogP4.07
Rot. Bonds4

About (Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile

(Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile (PubChem CID 144924118) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is (Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile
PubChem CID144924118
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name(Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile
SMILESCCC/C(N)=C(C#N)\C(=C(/C)N)c1cccc2ccccc12
InChIInChI=1S/C19H21N3/c1-3-7-18(22)17(12-20)19(13(2)21)16-11-6-9-14-8-4-5-10-15(14)16/h4-6,8-11H,3,7,21-22H2,1-2H3/b18-17+,19-13+
InChIKeyOTSGVJKKPUWWEG-RDTSSGBFSA-N
XLogP4.07
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile?
The IUPAC name of (Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile (CID 144924118) is (Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile?
The canonical SMILES for (Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile is CCC/C(N)=C(C#N)\C(=C(/C)N)c1cccc2ccccc12.
What is the InChIKey of (Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile?
The InChIKey is OTSGVJKKPUWWEG-RDTSSGBFSA-N. The full InChI is InChI=1S/C19H21N3/c1-3-7-18(22)17(12-20)19(13(2)21)16-11-6-9-14-8-4-5-10-15(14)16/h4-6,8-11H,3,7,21-22H2,1-2H3/b18-17+,19-13+.
What are the key properties of (Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile?
(Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile has a molecular weight of 291.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-[(E)-2-amino-1-naphthalen-1-ylprop-1-enyl]hex-2-enenitrile is sourced from PubChem (CID 144924118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).