6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine

C20H24BrN — CID 170313172

IUPAC6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine
SMILESCC(C)=CCN(CC=C(C)C)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C20H24BrN/c1-15(2)9-11-22(12-10-16(3)4)20-8-6-17-13-19(21)7-5-18(17)14-20/h5-10,13-14H,11-12H2,1-4H3
InChIKeyQRIWCCFVOHSCRC-UHFFFAOYSA-N
MW358.32 g/mol
LogP6.34
Rot. Bonds5

About 6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine

6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine (PubChem CID 170313172) has the molecular formula C20H24BrN and a molecular weight of 358.32 g/mol. Its IUPAC name is 6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine
PubChem CID170313172
Molecular FormulaC20H24BrN
Molecular Weight358.32 g/mol
Exact Mass357.11
IUPAC Name6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine
SMILESCC(C)=CCN(CC=C(C)C)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C20H24BrN/c1-15(2)9-11-22(12-10-16(3)4)20-8-6-17-13-19(21)7-5-18(17)14-20/h5-10,13-14H,11-12H2,1-4H3
InChIKeyQRIWCCFVOHSCRC-UHFFFAOYSA-N
XLogP6.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 56.34
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 6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine?
The IUPAC name of 6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine (CID 170313172) is 6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine?
The canonical SMILES for 6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine is CC(C)=CCN(CC=C(C)C)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine?
The InChIKey is QRIWCCFVOHSCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN/c1-15(2)9-11-22(12-10-16(3)4)20-8-6-17-13-19(21)7-5-18(17)14-20/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine?
6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine has a molecular weight of 358.32 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-bis(3-methylbut-2-enyl)naphthalen-2-amine is sourced from PubChem (CID 170313172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).