N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine

C19H19N — CID 63997676

IUPACN-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine
SMILESC#CC(C)(C)NC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C19H19N/c1-4-19(2,3)20-18-16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)18/h1,5-12,18,20H,13H2,2-3H3
InChIKeyAVTMPZICKLEYQD-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.68
Rot. Bonds2

About N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine

N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine (PubChem CID 63997676) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine
PubChem CID63997676
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC NameN-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine
SMILESC#CC(C)(C)NC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C19H19N/c1-4-19(2,3)20-18-16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)18/h1,5-12,18,20H,13H2,2-3H3
InChIKeyAVTMPZICKLEYQD-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
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 N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine (CID 63997676) is N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine is C#CC(C)(C)NC1c2ccccc2Cc2ccccc21.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine?
The InChIKey is AVTMPZICKLEYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-4-19(2,3)20-18-16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)18/h1,5-12,18,20H,13H2,2-3H3.
What are the key properties of N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine?
N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine has a molecular weight of 261.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine is sourced from PubChem (CID 63997676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).