N,N-bis(prop-2-enyl)anthracen-1-amine

C20H19N — CID 118977865

IUPACN,N-bis(prop-2-enyl)anthracen-1-amine
SMILESC=CCN(CC=C)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C20H19N/c1-3-12-21(13-4-2)20-11-7-10-18-14-16-8-5-6-9-17(16)15-19(18)20/h3-11,14-15H,1-2,12-13H2
InChIKeyXVVVLDXUJWMRFQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.17
Rot. Bonds5

About N,N-bis(prop-2-enyl)anthracen-1-amine

N,N-bis(prop-2-enyl)anthracen-1-amine (PubChem CID 118977865) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)anthracen-1-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)anthracen-1-amine
PubChem CID118977865
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC NameN,N-bis(prop-2-enyl)anthracen-1-amine
SMILESC=CCN(CC=C)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C20H19N/c1-3-12-21(13-4-2)20-11-7-10-18-14-16-8-5-6-9-17(16)15-19(18)20/h3-11,14-15H,1-2,12-13H2
InChIKeyXVVVLDXUJWMRFQ-UHFFFAOYSA-N
XLogP5.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)anthracen-1-amine?
The IUPAC name of N,N-bis(prop-2-enyl)anthracen-1-amine (CID 118977865) is N,N-bis(prop-2-enyl)anthracen-1-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)anthracen-1-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)anthracen-1-amine is C=CCN(CC=C)c1cccc2cc3ccccc3cc12.
What is the InChIKey of N,N-bis(prop-2-enyl)anthracen-1-amine?
The InChIKey is XVVVLDXUJWMRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-3-12-21(13-4-2)20-11-7-10-18-14-16-8-5-6-9-17(16)15-19(18)20/h3-11,14-15H,1-2,12-13H2.
What are the key properties of N,N-bis(prop-2-enyl)anthracen-1-amine?
N,N-bis(prop-2-enyl)anthracen-1-amine has a molecular weight of 273.38 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)anthracen-1-amine is sourced from PubChem (CID 118977865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).