1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine

C16H16BrN — CID 102035542

IUPAC1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine
SMILESC=CCN(CC=C)c1ccc2ccccc2c1Br
InChIInChI=1S/C16H16BrN/c1-3-11-18(12-4-2)15-10-9-13-7-5-6-8-14(13)16(15)17/h3-10H,1-2,11-12H2
InChIKeySAVIDLBBRAFBKI-UHFFFAOYSA-N
MW302.22 g/mol
LogP4.78
Rot. Bonds5

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

1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine (PubChem CID 102035542) has the molecular formula C16H16BrN and a molecular weight of 302.22 g/mol. Its IUPAC name is 1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine.

Molecular Properties

Compound Name1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine
PubChem CID102035542
Molecular FormulaC16H16BrN
Molecular Weight302.22 g/mol
Exact Mass301.05
IUPAC Name1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine
SMILESC=CCN(CC=C)c1ccc2ccccc2c1Br
InChIInChI=1S/C16H16BrN/c1-3-11-18(12-4-2)15-10-9-13-7-5-6-8-14(13)16(15)17/h3-10H,1-2,11-12H2
InChIKeySAVIDLBBRAFBKI-UHFFFAOYSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine?
The IUPAC name of 1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine (CID 102035542) is 1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine.
What is the SMILES notation for 1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine?
The canonical SMILES for 1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine is C=CCN(CC=C)c1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine?
The InChIKey is SAVIDLBBRAFBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN/c1-3-11-18(12-4-2)15-10-9-13-7-5-6-8-14(13)16(15)17/h3-10H,1-2,11-12H2.
What are the key properties of 1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine?
1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine has a molecular weight of 302.22 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N,N-bis(prop-2-enyl)naphthalen-2-amine is sourced from PubChem (CID 102035542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).