N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine

C20H25N — CID 103460480

IUPACN-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine
SMILESCCC(C)(C)CNC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C20H25N/c1-4-20(2,3)14-21-19-17-11-7-5-9-15(17)13-16-10-6-8-12-18(16)19/h5-12,19,21H,4,13-14H2,1-3H3
InChIKeyZFBGSICFJMROJK-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.71
Rot. Bonds4

About N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine

N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine (PubChem CID 103460480) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine
PubChem CID103460480
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine
SMILESCCC(C)(C)CNC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C20H25N/c1-4-20(2,3)14-21-19-17-11-7-5-9-15(17)13-16-10-6-8-12-18(16)19/h5-12,19,21H,4,13-14H2,1-3H3
InChIKeyZFBGSICFJMROJK-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine (CID 103460480) is N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine is CCC(C)(C)CNC1c2ccccc2Cc2ccccc21.
What is the InChIKey of N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine?
The InChIKey is ZFBGSICFJMROJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-4-20(2,3)14-21-19-17-11-7-5-9-15(17)13-16-10-6-8-12-18(16)19/h5-12,19,21H,4,13-14H2,1-3H3.
What are the key properties of N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine?
N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine has a molecular weight of 279.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-9,10-dihydroanthracen-9-amine is sourced from PubChem (CID 103460480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).