N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine

C19H21NO — CID 80679367

IUPACN-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine
SMILESCC1(C)CCC(Nc2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C19H21NO/c1-19(2)10-9-14(12-19)20-13-7-8-18-16(11-13)15-5-3-4-6-17(15)21-18/h3-8,11,14,20H,9-10,12H2,1-2H3
InChIKeyZSMSLUALXBUEOD-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.58
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine

N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine (PubChem CID 80679367) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine
PubChem CID80679367
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine
SMILESCC1(C)CCC(Nc2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C19H21NO/c1-19(2)10-9-14(12-19)20-13-7-8-18-16(11-13)15-5-3-4-6-17(15)21-18/h3-8,11,14,20H,9-10,12H2,1-2H3
InChIKeyZSMSLUALXBUEOD-UHFFFAOYSA-N
XLogP5.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine (CID 80679367) is N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine is CC1(C)CCC(Nc2ccc3oc4ccccc4c3c2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine?
The InChIKey is ZSMSLUALXBUEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-19(2)10-9-14(12-19)20-13-7-8-18-16(11-13)15-5-3-4-6-17(15)21-18/h3-8,11,14,20H,9-10,12H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine?
N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine has a molecular weight of 279.38 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)dibenzofuran-2-amine is sourced from PubChem (CID 80679367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).