1,1-dinaphthalen-1-ylpropan-1-amine

C23H21N — CID 91604268

IUPAC1,1-dinaphthalen-1-ylpropan-1-amine
SMILESCCC(N)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C23H21N/c1-2-23(24,21-15-7-11-17-9-3-5-13-19(17)21)22-16-8-12-18-10-4-6-14-20(18)22/h3-16H,2,24H2,1H3
InChIKeyOILSXCYHAHQRKZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.61
Rot. Bonds3

About 1,1-dinaphthalen-1-ylpropan-1-amine

1,1-dinaphthalen-1-ylpropan-1-amine (PubChem CID 91604268) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is 1,1-dinaphthalen-1-ylpropan-1-amine.

Molecular Properties

Compound Name1,1-dinaphthalen-1-ylpropan-1-amine
PubChem CID91604268
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC Name1,1-dinaphthalen-1-ylpropan-1-amine
SMILESCCC(N)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C23H21N/c1-2-23(24,21-15-7-11-17-9-3-5-13-19(17)21)22-16-8-12-18-10-4-6-14-20(18)22/h3-16H,2,24H2,1H3
InChIKeyOILSXCYHAHQRKZ-UHFFFAOYSA-N
XLogP5.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dinaphthalen-1-ylpropan-1-amine?
The IUPAC name of 1,1-dinaphthalen-1-ylpropan-1-amine (CID 91604268) is 1,1-dinaphthalen-1-ylpropan-1-amine.
What is the SMILES notation for 1,1-dinaphthalen-1-ylpropan-1-amine?
The canonical SMILES for 1,1-dinaphthalen-1-ylpropan-1-amine is CCC(N)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1,1-dinaphthalen-1-ylpropan-1-amine?
The InChIKey is OILSXCYHAHQRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-2-23(24,21-15-7-11-17-9-3-5-13-19(17)21)22-16-8-12-18-10-4-6-14-20(18)22/h3-16H,2,24H2,1H3.
What are the key properties of 1,1-dinaphthalen-1-ylpropan-1-amine?
1,1-dinaphthalen-1-ylpropan-1-amine has a molecular weight of 311.43 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dinaphthalen-1-ylpropan-1-amine is sourced from PubChem (CID 91604268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).