8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine

C41H45N — CID 87689504

IUPAC8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine
SMILESCN(c1cccc2cccc(CCC=CC#CC(C)(C)C)c12)c1cccc2cccc(CCC=CC#CC(C)(C)C)c12
InChIInChI=1S/C41H45N/c1-40(2,3)30-14-10-8-12-20-32-22-16-24-34-26-18-28-36(38(32)34)42(7)37-29-19-27-35-25-17-23-33(39(35)37)21-13-9-11-15-31-41(4,5)6/h8-11,16-19,22-29H,12-13,20-21H2,1-7H3
InChIKeyFAALZRMHFYCZII-UHFFFAOYSA-N
MW551.82 g/mol
LogP10.84
Rot. Bonds8

About 8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine

8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine (PubChem CID 87689504) has the molecular formula C41H45N and a molecular weight of 551.82 g/mol. Its IUPAC name is 8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine.

Molecular Properties

Compound Name8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine
PubChem CID87689504
Molecular FormulaC41H45N
Molecular Weight551.82 g/mol
Exact Mass551.36
IUPAC Name8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine
SMILESCN(c1cccc2cccc(CCC=CC#CC(C)(C)C)c12)c1cccc2cccc(CCC=CC#CC(C)(C)C)c12
InChIInChI=1S/C41H45N/c1-40(2,3)30-14-10-8-12-20-32-22-16-24-34-26-18-28-36(38(32)34)42(7)37-29-19-27-35-25-17-23-33(39(35)37)21-13-9-11-15-31-41(4,5)6/h8-11,16-19,22-29H,12-13,20-21H2,1-7H3
InChIKeyFAALZRMHFYCZII-UHFFFAOYSA-N
XLogP10.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.82
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine?
The IUPAC name of 8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine (CID 87689504) is 8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine.
What is the SMILES notation for 8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine?
The canonical SMILES for 8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine is CN(c1cccc2cccc(CCC=CC#CC(C)(C)C)c12)c1cccc2cccc(CCC=CC#CC(C)(C)C)c12.
What is the InChIKey of 8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine?
The InChIKey is FAALZRMHFYCZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45N/c1-40(2,3)30-14-10-8-12-20-32-22-16-24-34-26-18-28-36(38(32)34)42(7)37-29-19-27-35-25-17-23-33(39(35)37)21-13-9-11-15-31-41(4,5)6/h8-11,16-19,22-29H,12-13,20-21H2,1-7H3.
What are the key properties of 8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine?
8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine has a molecular weight of 551.82 g/mol, XLogP of 10.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7,7-dimethyloct-3-en-5-ynyl)-N-[8-(7,7-dimethyloct-3-en-5-ynyl)naphthalen-1-yl]-N-methylnaphthalen-1-amine is sourced from PubChem (CID 87689504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).